7-[hydroxy(phenyl)methyl]-2-pyridin-3-yl-1H-quinolin-4-one

C21H16N2O2 — CID 53324736

IUPAC7-[hydroxy(phenyl)methyl]-2-pyridin-3-yl-1H-quinolin-4-one
SMILESO=c1cc(-c2cccnc2)[nH]c2cc(C(O)c3ccccc3)ccc12
InChIInChI=1S/C21H16N2O2/c24-20-12-18(16-7-4-10-22-13-16)23-19-11-15(8-9-17(19)20)21(25)14-5-2-1-3-6-14/h1-13,21,25H,(H,23,24)
InChIKeyJUCHZXYUHOLVCC-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.67
Rot. Bonds3

About 7-[hydroxy(phenyl)methyl]-2-pyridin-3-yl-1H-quinolin-4-one

7-[hydroxy(phenyl)methyl]-2-pyridin-3-yl-1H-quinolin-4-one (PubChem CID 53324736) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 7-[hydroxy(phenyl)methyl]-2-pyridin-3-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name7-[hydroxy(phenyl)methyl]-2-pyridin-3-yl-1H-quinolin-4-one
PubChem CID53324736
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name7-[hydroxy(phenyl)methyl]-2-pyridin-3-yl-1H-quinolin-4-one
SMILESO=c1cc(-c2cccnc2)[nH]c2cc(C(O)c3ccccc3)ccc12
InChIInChI=1S/C21H16N2O2/c24-20-12-18(16-7-4-10-22-13-16)23-19-11-15(8-9-17(19)20)21(25)14-5-2-1-3-6-14/h1-13,21,25H,(H,23,24)
InChIKeyJUCHZXYUHOLVCC-UHFFFAOYSA-N
XLogP3.67
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-{3-[4-(Pyridin-2-yl)phenyl]propanamido}benzoic acid
CID 11566404
{4-[({3-[3-Benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amino)methyl]phenyl}methanol
CID 23648487
4-[4-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]phenyl]benzoic acid
CID 44560791
2-[(Pyridin-3-ylmethyl)amino]benzoic acid
CID 3442459
7-benzyl-2-pyridin-3-yl-1H-quinolin-4-one
CID 53324735
3-Butyryl-4-(2-methylphenylamino)-8-hydroxymethylquinoline
CID 10427010
3-Butyryl-4-(2-methylphenylamino)-8-(1-hydroxyethyl)quinoline
CID 11725323
4-Methyl-3-[(pyridin-4-ylmethyl)-amino]-benzoic acid
CID 6472151
2-((7-(Trifluoromethyl)-4-quinolinyl)amino)benzoic acid
CID 169811
Quinoline-5, 6-[(3-hydroxy-3-phenyl-2-propyl)amino]-
CID 386228
CID 386231
CID 386231
1-(8-Hydroxymethyl-4-o-tolylamino-quinolin-3-yl)-propan-1-one
CID 9973301

Frequently Asked Questions

What is the IUPAC name of 7-[hydroxy(phenyl)methyl]-2-pyridin-3-yl-1H-quinolin-4-one?
The IUPAC name of 7-[hydroxy(phenyl)methyl]-2-pyridin-3-yl-1H-quinolin-4-one (CID 53324736) is 7-[hydroxy(phenyl)methyl]-2-pyridin-3-yl-1H-quinolin-4-one.
What is the SMILES notation for 7-[hydroxy(phenyl)methyl]-2-pyridin-3-yl-1H-quinolin-4-one?
The canonical SMILES for 7-[hydroxy(phenyl)methyl]-2-pyridin-3-yl-1H-quinolin-4-one is O=c1cc(-c2cccnc2)[nH]c2cc(C(O)c3ccccc3)ccc12.
What is the InChIKey of 7-[hydroxy(phenyl)methyl]-2-pyridin-3-yl-1H-quinolin-4-one?
The InChIKey is JUCHZXYUHOLVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-20-12-18(16-7-4-10-22-13-16)23-19-11-15(8-9-17(19)20)21(25)14-5-2-1-3-6-14/h1-13,21,25H,(H,23,24).
What are the key properties of 7-[hydroxy(phenyl)methyl]-2-pyridin-3-yl-1H-quinolin-4-one?
7-[hydroxy(phenyl)methyl]-2-pyridin-3-yl-1H-quinolin-4-one has a molecular weight of 328.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[hydroxy(phenyl)methyl]-2-pyridin-3-yl-1H-quinolin-4-one is sourced from PubChem (CID 53324736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).