7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-1,8-naphthyridin-4-one

C17H15ClN2O3 — CID 171795802

IUPAC7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-1,8-naphthyridin-4-one
SMILESCOc1ccc(Cn2ccc(=O)c3ccc(Cl)nc32)c(OC)c1
InChIInChI=1S/C17H15ClN2O3/c1-22-12-4-3-11(15(9-12)23-2)10-20-8-7-14(21)13-5-6-16(18)19-17(13)20/h3-9H,10H2,1-2H3
InChIKeyOTBGRVDSILUISQ-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.12
Rot. Bonds4

About 7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-1,8-naphthyridin-4-one

7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-1,8-naphthyridin-4-one (PubChem CID 171795802) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-1,8-naphthyridin-4-one
PubChem CID171795802
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-1,8-naphthyridin-4-one
SMILESCOc1ccc(Cn2ccc(=O)c3ccc(Cl)nc32)c(OC)c1
InChIInChI=1S/C17H15ClN2O3/c1-22-12-4-3-11(15(9-12)23-2)10-20-8-7-14(21)13-5-6-16(18)19-17(13)20/h3-9H,10H2,1-2H3
InChIKeyOTBGRVDSILUISQ-UHFFFAOYSA-N
XLogP3.12
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(6-chloropyridazin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]pyrimidine-2,4-dione
CID 174222572
3-(bromomethyl)-1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 141351917
2-chloro-6-[(2,4-dimethoxyphenyl)methyl]-5-methyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 167430782
1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-3,4-dicarboxylic acid
CID 123329362
5-amino-1-[(2,4-dimethoxyphenyl)methyl]pyridin-2-one
CID 82484405
1-[(2,4-dimethoxyphenyl)methyl]pyrrole
CID 63363175
8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-one
CID 162772120
[7-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-8-oxo-2,7-naphthyridin-3-yl] N-methylcarbamate
CID 122512388
2-[(2,4-dimethoxyphenyl)methyl]-1-iminoisoquinolin-7-amine
CID 118355612
1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one
CID 154478411
3-chloro-6-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyrazine
CID 178141497
6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one
CID 127034647

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-1,8-naphthyridin-4-one?
The IUPAC name of 7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-1,8-naphthyridin-4-one (CID 171795802) is 7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-1,8-naphthyridin-4-one?
The canonical SMILES for 7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-1,8-naphthyridin-4-one is COc1ccc(Cn2ccc(=O)c3ccc(Cl)nc32)c(OC)c1.
What is the InChIKey of 7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-1,8-naphthyridin-4-one?
The InChIKey is OTBGRVDSILUISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-22-12-4-3-11(15(9-12)23-2)10-20-8-7-14(21)13-5-6-16(18)19-17(13)20/h3-9H,10H2,1-2H3.
What are the key properties of 7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-1,8-naphthyridin-4-one?
7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-1,8-naphthyridin-4-one has a molecular weight of 330.77 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-1,8-naphthyridin-4-one is sourced from PubChem (CID 171795802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).