7-chloro-3-(3,5-dimethoxyphenyl)-2-methyl-2,6-naphthyridin-1-one

C17H15ClN2O3 — CID 135180205

IUPAC7-chloro-3-(3,5-dimethoxyphenyl)-2-methyl-2,6-naphthyridin-1-one
SMILESCOc1cc(OC)cc(-c2cc3cnc(Cl)cc3c(=O)n2C)c1
InChIInChI=1S/C17H15ClN2O3/c1-20-15(10-4-12(22-2)7-13(5-10)23-3)6-11-9-19-16(18)8-14(11)17(20)21/h4-9H,1-3H3
InChIKeySQHGOWPWPCSFQW-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.27
Rot. Bonds3

About 7-chloro-3-(3,5-dimethoxyphenyl)-2-methyl-2,6-naphthyridin-1-one

7-chloro-3-(3,5-dimethoxyphenyl)-2-methyl-2,6-naphthyridin-1-one (PubChem CID 135180205) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 7-chloro-3-(3,5-dimethoxyphenyl)-2-methyl-2,6-naphthyridin-1-one.

Molecular Properties

Compound Name7-chloro-3-(3,5-dimethoxyphenyl)-2-methyl-2,6-naphthyridin-1-one
PubChem CID135180205
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name7-chloro-3-(3,5-dimethoxyphenyl)-2-methyl-2,6-naphthyridin-1-one
SMILESCOc1cc(OC)cc(-c2cc3cnc(Cl)cc3c(=O)n2C)c1
InChIInChI=1S/C17H15ClN2O3/c1-20-15(10-4-12(22-2)7-13(5-10)23-3)6-11-9-19-16(18)8-14(11)17(20)21/h4-9H,1-3H3
InChIKeySQHGOWPWPCSFQW-UHFFFAOYSA-N
XLogP3.27
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.27
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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3,5-dimethoxyphenyl)-2-methyl-2,6-naphthyridin-1-one?
The IUPAC name of 7-chloro-3-(3,5-dimethoxyphenyl)-2-methyl-2,6-naphthyridin-1-one (CID 135180205) is 7-chloro-3-(3,5-dimethoxyphenyl)-2-methyl-2,6-naphthyridin-1-one.
What is the SMILES notation for 7-chloro-3-(3,5-dimethoxyphenyl)-2-methyl-2,6-naphthyridin-1-one?
The canonical SMILES for 7-chloro-3-(3,5-dimethoxyphenyl)-2-methyl-2,6-naphthyridin-1-one is COc1cc(OC)cc(-c2cc3cnc(Cl)cc3c(=O)n2C)c1.
What is the InChIKey of 7-chloro-3-(3,5-dimethoxyphenyl)-2-methyl-2,6-naphthyridin-1-one?
The InChIKey is SQHGOWPWPCSFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-20-15(10-4-12(22-2)7-13(5-10)23-3)6-11-9-19-16(18)8-14(11)17(20)21/h4-9H,1-3H3.
What are the key properties of 7-chloro-3-(3,5-dimethoxyphenyl)-2-methyl-2,6-naphthyridin-1-one?
7-chloro-3-(3,5-dimethoxyphenyl)-2-methyl-2,6-naphthyridin-1-one has a molecular weight of 330.77 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3,5-dimethoxyphenyl)-2-methyl-2,6-naphthyridin-1-one is sourced from PubChem (CID 135180205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).