7-benzyl-2-pyridin-3-yl-1H-quinolin-4-one

C21H16N2O — CID 53324735

IUPAC7-benzyl-2-pyridin-3-yl-1H-quinolin-4-one
SMILESO=c1cc(-c2cccnc2)[nH]c2cc(Cc3ccccc3)ccc12
InChIInChI=1S/C21H16N2O/c24-21-13-19(17-7-4-10-22-14-17)23-20-12-16(8-9-18(20)21)11-15-5-2-1-3-6-15/h1-10,12-14H,11H2,(H,23,24)
InChIKeyOTMRSOIKRACOSL-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.18
Rot. Bonds3

About 7-benzyl-2-pyridin-3-yl-1H-quinolin-4-one

7-benzyl-2-pyridin-3-yl-1H-quinolin-4-one (PubChem CID 53324735) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 7-benzyl-2-pyridin-3-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name7-benzyl-2-pyridin-3-yl-1H-quinolin-4-one
PubChem CID53324735
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name7-benzyl-2-pyridin-3-yl-1H-quinolin-4-one
SMILESO=c1cc(-c2cccnc2)[nH]c2cc(Cc3ccccc3)ccc12
InChIInChI=1S/C21H16N2O/c24-21-13-19(17-7-4-10-22-14-17)23-20-12-16(8-9-18(20)21)11-15-5-2-1-3-6-15/h1-10,12-14H,11H2,(H,23,24)
InChIKeyOTMRSOIKRACOSL-UHFFFAOYSA-N
XLogP4.18
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2-pyridin-3-yl-1H-quinolin-4-one?
The IUPAC name of 7-benzyl-2-pyridin-3-yl-1H-quinolin-4-one (CID 53324735) is 7-benzyl-2-pyridin-3-yl-1H-quinolin-4-one.
What is the SMILES notation for 7-benzyl-2-pyridin-3-yl-1H-quinolin-4-one?
The canonical SMILES for 7-benzyl-2-pyridin-3-yl-1H-quinolin-4-one is O=c1cc(-c2cccnc2)[nH]c2cc(Cc3ccccc3)ccc12.
What is the InChIKey of 7-benzyl-2-pyridin-3-yl-1H-quinolin-4-one?
The InChIKey is OTMRSOIKRACOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c24-21-13-19(17-7-4-10-22-14-17)23-20-12-16(8-9-18(20)21)11-15-5-2-1-3-6-15/h1-10,12-14H,11H2,(H,23,24).
What are the key properties of 7-benzyl-2-pyridin-3-yl-1H-quinolin-4-one?
7-benzyl-2-pyridin-3-yl-1H-quinolin-4-one has a molecular weight of 312.37 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2-pyridin-3-yl-1H-quinolin-4-one is sourced from PubChem (CID 53324735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).