2-benzyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one

C18H16N2O — CID 15321506

IUPAC2-benzyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
SMILESO=c1c2c([nH]c3ccccc13)CN(Cc1ccccc1)C2
InChIInChI=1S/C18H16N2O/c21-18-14-8-4-5-9-16(14)19-17-12-20(11-15(17)18)10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)
InChIKeyDYUIPLASBYWONF-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.04
Rot. Bonds2

About 2-benzyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one

2-benzyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one (PubChem CID 15321506) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-benzyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one.

Molecular Properties

Compound Name2-benzyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
PubChem CID15321506
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-benzyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
SMILESO=c1c2c([nH]c3ccccc13)CN(Cc1ccccc1)C2
InChIInChI=1S/C18H16N2O/c21-18-14-8-4-5-9-16(14)19-17-12-20(11-15(17)18)10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)
InChIKeyDYUIPLASBYWONF-UHFFFAOYSA-N
XLogP3.04
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-8-fluoro-1,3,4,10-tetrahydrobenzo[b][1,7]naphthyridin-5-one
CID 10495009
2-benzyl-3-phenyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 101226923
2-acetyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 3962553
2-[(3-chlorophenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 766064
2-benzyl-7-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[3,4-b]indole
CID 58159479
(3S)-2-benzyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
CID 57400765
(9S)-7-benzyl-3,7,18-triazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),12,14,16-tetraene
CID 73057583
(8S)-6-benzyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 6953778
(3R)-1-benzyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrrolidine-2,5-dione
CID 38054888
4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one
CID 13317108
(2S)-4-benzyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraen-6-one
CID 23254438
2-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 117014262

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The IUPAC name of 2-benzyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one (CID 15321506) is 2-benzyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one.
What is the SMILES notation for 2-benzyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The canonical SMILES for 2-benzyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one is O=c1c2c([nH]c3ccccc13)CN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The InChIKey is DYUIPLASBYWONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c21-18-14-8-4-5-9-16(14)19-17-12-20(11-15(17)18)10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21).
What are the key properties of 2-benzyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
2-benzyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one has a molecular weight of 276.34 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one is sourced from PubChem (CID 15321506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).