2-pyridin-3-yl-3H-pyrrolo[3,4-b]quinolin-1-one

C16H11N3O — CID 69242235

IUPAC2-pyridin-3-yl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESO=C1c2cc3ccccc3nc2CN1c1cccnc1
InChIInChI=1S/C16H11N3O/c20-16-13-8-11-4-1-2-6-14(11)18-15(13)10-19(16)12-5-3-7-17-9-12/h1-9H,10H2
InChIKeyXJSOTDPZABKZHY-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.79
Rot. Bonds1

About 2-pyridin-3-yl-3H-pyrrolo[3,4-b]quinolin-1-one

2-pyridin-3-yl-3H-pyrrolo[3,4-b]quinolin-1-one (PubChem CID 69242235) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-pyridin-3-yl-3H-pyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name2-pyridin-3-yl-3H-pyrrolo[3,4-b]quinolin-1-one
PubChem CID69242235
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name2-pyridin-3-yl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESO=C1c2cc3ccccc3nc2CN1c1cccnc1
InChIInChI=1S/C16H11N3O/c20-16-13-8-11-4-1-2-6-14(11)18-15(13)10-19(16)12-5-3-7-17-9-12/h1-9H,10H2
InChIKeyXJSOTDPZABKZHY-UHFFFAOYSA-N
XLogP2.79
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 71304960
2-(4-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 1490604
2-cyclopropyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 140533296
2-[6-(dimethylamino)-3-pyridinyl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837278
3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one
CID 57415342
6-bromo-2-quinolin-6-yl-3H-isoindol-1-one
CID 59543385
3,4-dihydro-2H-pyridazino[4,5-b]quinolin-1-one
CID 140981878
2-bromo-6-pyridin-3-yl-7H-imidazo[1,2-c]imidazol-5-one
CID 171801635
9-methyl-2-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 72710503
6-[3-(1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50949708
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 176622290
2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-1,2-dihydropyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168878804

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-3H-pyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 2-pyridin-3-yl-3H-pyrrolo[3,4-b]quinolin-1-one (CID 69242235) is 2-pyridin-3-yl-3H-pyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 2-pyridin-3-yl-3H-pyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 2-pyridin-3-yl-3H-pyrrolo[3,4-b]quinolin-1-one is O=C1c2cc3ccccc3nc2CN1c1cccnc1.
What is the InChIKey of 2-pyridin-3-yl-3H-pyrrolo[3,4-b]quinolin-1-one?
The InChIKey is XJSOTDPZABKZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c20-16-13-8-11-4-1-2-6-14(11)18-15(13)10-19(16)12-5-3-7-17-9-12/h1-9H,10H2.
What are the key properties of 2-pyridin-3-yl-3H-pyrrolo[3,4-b]quinolin-1-one?
2-pyridin-3-yl-3H-pyrrolo[3,4-b]quinolin-1-one has a molecular weight of 261.28 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-3H-pyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 69242235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).