1-[(3-chlorophenyl)methyl]-5,7-dimethyl-1,8-naphthyridin-2-one

C17H15ClN2O — CID 901093

IUPAC1-[(3-chlorophenyl)methyl]-5,7-dimethyl-1,8-naphthyridin-2-one
SMILESCc1cc(C)c2ccc(=O)n(Cc3cccc(Cl)c3)c2n1
InChIInChI=1S/C17H15ClN2O/c1-11-8-12(2)19-17-15(11)6-7-16(21)20(17)10-13-4-3-5-14(18)9-13/h3-9H,10H2,1-2H3
InChIKeyOMCKJQRQJCHNRN-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.72
Rot. Bonds2

About 1-[(3-chlorophenyl)methyl]-5,7-dimethyl-1,8-naphthyridin-2-one

1-[(3-chlorophenyl)methyl]-5,7-dimethyl-1,8-naphthyridin-2-one (PubChem CID 901093) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-5,7-dimethyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-5,7-dimethyl-1,8-naphthyridin-2-one
PubChem CID901093
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name1-[(3-chlorophenyl)methyl]-5,7-dimethyl-1,8-naphthyridin-2-one
SMILESCc1cc(C)c2ccc(=O)n(Cc3cccc(Cl)c3)c2n1
InChIInChI=1S/C17H15ClN2O/c1-11-8-12(2)19-17-15(11)6-7-16(21)20(17)10-13-4-3-5-14(18)9-13/h3-9H,10H2,1-2H3
InChIKeyOMCKJQRQJCHNRN-UHFFFAOYSA-N
XLogP3.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-5,7-dimethyl-1,8-naphthyridin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-5,7-dimethyl-1,8-naphthyridin-2-one (CID 901093) is 1-[(3-chlorophenyl)methyl]-5,7-dimethyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-5,7-dimethyl-1,8-naphthyridin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-5,7-dimethyl-1,8-naphthyridin-2-one is Cc1cc(C)c2ccc(=O)n(Cc3cccc(Cl)c3)c2n1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-5,7-dimethyl-1,8-naphthyridin-2-one?
The InChIKey is OMCKJQRQJCHNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11-8-12(2)19-17-15(11)6-7-16(21)20(17)10-13-4-3-5-14(18)9-13/h3-9H,10H2,1-2H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-5,7-dimethyl-1,8-naphthyridin-2-one?
1-[(3-chlorophenyl)methyl]-5,7-dimethyl-1,8-naphthyridin-2-one has a molecular weight of 298.77 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-5,7-dimethyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 901093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).