4-hydroxy-1-[(3-methylphenyl)methyl]-1,8-naphthyridin-2-one

C16H14N2O2 — CID 82023973

IUPAC4-hydroxy-1-[(3-methylphenyl)methyl]-1,8-naphthyridin-2-one
SMILESCc1cccc(Cn2c(=O)cc(O)c3cccnc32)c1
InChIInChI=1S/C16H14N2O2/c1-11-4-2-5-12(8-11)10-18-15(20)9-14(19)13-6-3-7-17-16(13)18/h2-9,19H,10H2,1H3
InChIKeyKVGRIPPJKLOMML-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.46
Rot. Bonds2

About 4-hydroxy-1-[(3-methylphenyl)methyl]-1,8-naphthyridin-2-one

4-hydroxy-1-[(3-methylphenyl)methyl]-1,8-naphthyridin-2-one (PubChem CID 82023973) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-hydroxy-1-[(3-methylphenyl)methyl]-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[(3-methylphenyl)methyl]-1,8-naphthyridin-2-one
PubChem CID82023973
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-hydroxy-1-[(3-methylphenyl)methyl]-1,8-naphthyridin-2-one
SMILESCc1cccc(Cn2c(=O)cc(O)c3cccnc32)c1
InChIInChI=1S/C16H14N2O2/c1-11-4-2-5-12(8-11)10-18-15(20)9-14(19)13-6-3-7-17-16(13)18/h2-9,19H,10H2,1H3
InChIKeyKVGRIPPJKLOMML-UHFFFAOYSA-N
XLogP2.46
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-methylphenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid
CID 175402718
[1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66416443
3-amino-2-[(3-methylphenyl)methyl]isoquinolin-1-one
CID 60902327
[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine
CID 53298848
3-[(3-methylphenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165886
2-[2-methyl-1-[(3-methylsulfonylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 67219287
1-benzyl-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 15073525
methane;9-[(3-methylphenyl)methyl]carbazole
CID 159308792
3-[(3-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridine
CID 20908577
N-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189896
4-[2-[8-[(3-methylphenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl]-2-oxoethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 163761339
2-[1-[(3,4-difluorophenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 11674088

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(3-methylphenyl)methyl]-1,8-naphthyridin-2-one?
The IUPAC name of 4-hydroxy-1-[(3-methylphenyl)methyl]-1,8-naphthyridin-2-one (CID 82023973) is 4-hydroxy-1-[(3-methylphenyl)methyl]-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-[(3-methylphenyl)methyl]-1,8-naphthyridin-2-one?
The canonical SMILES for 4-hydroxy-1-[(3-methylphenyl)methyl]-1,8-naphthyridin-2-one is Cc1cccc(Cn2c(=O)cc(O)c3cccnc32)c1.
What is the InChIKey of 4-hydroxy-1-[(3-methylphenyl)methyl]-1,8-naphthyridin-2-one?
The InChIKey is KVGRIPPJKLOMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-4-2-5-12(8-11)10-18-15(20)9-14(19)13-6-3-7-17-16(13)18/h2-9,19H,10H2,1H3.
What are the key properties of 4-hydroxy-1-[(3-methylphenyl)methyl]-1,8-naphthyridin-2-one?
4-hydroxy-1-[(3-methylphenyl)methyl]-1,8-naphthyridin-2-one has a molecular weight of 266.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(3-methylphenyl)methyl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 82023973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).