1-pyridin-3-yl-2,4-dihydro-1H-benzo[f]quinolin-3-one

C18H14N2O — CID 2932542

IUPAC1-pyridin-3-yl-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESO=C1CC(c2cccnc2)c2c(ccc3ccccc23)N1
InChIInChI=1S/C18H14N2O/c21-17-10-15(13-5-3-9-19-11-13)18-14-6-2-1-4-12(14)7-8-16(18)20-17/h1-9,11,15H,10H2,(H,20,21)
InChIKeyAATDNBQJIGRWJB-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.71
Rot. Bonds1

About 1-pyridin-3-yl-2,4-dihydro-1H-benzo[f]quinolin-3-one

1-pyridin-3-yl-2,4-dihydro-1H-benzo[f]quinolin-3-one (PubChem CID 2932542) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-pyridin-3-yl-2,4-dihydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name1-pyridin-3-yl-2,4-dihydro-1H-benzo[f]quinolin-3-one
PubChem CID2932542
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name1-pyridin-3-yl-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESO=C1CC(c2cccnc2)c2c(ccc3ccccc23)N1
InChIInChI=1S/C18H14N2O/c21-17-10-15(13-5-3-9-19-11-13)18-14-6-2-1-4-12(14)7-8-16(18)20-17/h1-9,11,15H,10H2,(H,20,21)
InChIKeyAATDNBQJIGRWJB-UHFFFAOYSA-N
XLogP3.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of 1-pyridin-3-yl-2,4-dihydro-1H-benzo[f]quinolin-3-one (CID 2932542) is 1-pyridin-3-yl-2,4-dihydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for 1-pyridin-3-yl-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for 1-pyridin-3-yl-2,4-dihydro-1H-benzo[f]quinolin-3-one is O=C1CC(c2cccnc2)c2c(ccc3ccccc23)N1.
What is the InChIKey of 1-pyridin-3-yl-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The InChIKey is AATDNBQJIGRWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c21-17-10-15(13-5-3-9-19-11-13)18-14-6-2-1-4-12(14)7-8-16(18)20-17/h1-9,11,15H,10H2,(H,20,21).
What are the key properties of 1-pyridin-3-yl-2,4-dihydro-1H-benzo[f]quinolin-3-one?
1-pyridin-3-yl-2,4-dihydro-1H-benzo[f]quinolin-3-one has a molecular weight of 274.32 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-2,4-dihydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 2932542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).