3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one

C20H20N2O3 — CID 70694169

IUPAC3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one
SMILESCc1c(-c2ccc(OC3CCOCC3)cc2)[nH]c2ncccc2c1=O
InChIInChI=1S/C20H20N2O3/c1-13-18(22-20-17(19(13)23)3-2-10-21-20)14-4-6-15(7-5-14)25-16-8-11-24-12-9-16/h2-7,10,16H,8-9,11-12H2,1H3,(H,21,22,23)
InChIKeyKZWQEZCLUSLPQH-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.46
Rot. Bonds3

About 3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one

3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one (PubChem CID 70694169) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one
PubChem CID70694169
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one
SMILESCc1c(-c2ccc(OC3CCOCC3)cc2)[nH]c2ncccc2c1=O
InChIInChI=1S/C20H20N2O3/c1-13-18(22-20-17(19(13)23)3-2-10-21-20)14-4-6-15(7-5-14)25-16-8-11-24-12-9-16/h2-7,10,16H,8-9,11-12H2,1H3,(H,21,22,23)
InChIKeyKZWQEZCLUSLPQH-UHFFFAOYSA-N
XLogP3.46
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 11315033
N-(4-phenoxyphenyl)-2-((pyridin-4-ylmethyl)amino)nicotinamide
CID 16040289
4-methoxy-N-pyridin-2-ylbenzamide
CID 821599
N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]pyridin-2-amine
CID 9880373
1-[2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-2,2-dimethylpropan-1-one
CID 10525639
2-[3-[4-[2-(2,2-dimethylpropoxy)phenyl]piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10647341
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10787790
3-(2,3-Dihydro-benzofuran-5-yl)-2-pyridin-2-yl-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11280474
2-(4-Methoxy-phenylamino)-nicotinic acid
CID 748369
4-ethoxy-N-(4-methylpyridin-2-yl)benzamide
CID 803159
2-(2-Propoxy-phenyl)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135433829
Nicotinamide, N-benzyl-2-(p-methoxyanilino)-
CID 1440879

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one?
The IUPAC name of 3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one (CID 70694169) is 3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one is Cc1c(-c2ccc(OC3CCOCC3)cc2)[nH]c2ncccc2c1=O.
What is the InChIKey of 3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one?
The InChIKey is KZWQEZCLUSLPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-18(22-20-17(19(13)23)3-2-10-21-20)14-4-6-15(7-5-14)25-16-8-11-24-12-9-16/h2-7,10,16H,8-9,11-12H2,1H3,(H,21,22,23).
What are the key properties of 3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one?
3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one has a molecular weight of 336.39 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-(oxan-4-yloxy)phenyl]-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 70694169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).