Name: Name:2H-Pyrrolo[3,4-c]quinoline-2-carboxylic acid, 1,3,3a,4,5,9b-hexahydro-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG000IS2
Rating: 90 (10 reviews)

2H-Pyrrolo[3,4-c]quinoline-2-carboxylic acid, 1,3,3a,4,5,9b-hexahydro-, 1,1-dimethylethyl ester

CAS No.:

1194375-23-9

Catalog Number:

AG000IS2

Molecular Formula:

C16H22N2O2

Molecular Weight:

274.3581

Catalog Number:

AG000IS2

Chemical Name:

2H-Pyrrolo[3,4-c]quinoline-2-carboxylic acid, 1,3,3a,4,5,9b-hexahydro-, 1,1-dimethylethyl ester

CAS Number:

1194375-23-9

Molecular Formula:

C16H22N2O2

Molecular Weight:

274.3581

MDL Number:

MFCD11877825

IUPAC Name:

tert-butyl 1,3,3a,4,5,9b-hexahydropyrrolo[3,4-c]quinoline-2-carboxylate

InChI:

InChI=1S/C16H22N2O2/c1-16(2,3)20-15(19)18-9-11-8-17-14-7-5-4-6-12(14)13(11)10-18/h4-7,11,13,17H,8-10H2,1-3H3

InChI Key:

UKODSGDGRCDPPY-UHFFFAOYSA-N

SMILES:

O=C(N1CC2C(C1)c1ccccc1NC2)OC(C)(C)C

Complexity:

377

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

274.168g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

274.364g/mol

Monoisotopic Mass:

274.168g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6