6-(3-chloro-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one

C21H15ClN2O — CID 137423287

IUPAC6-(3-chloro-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one
SMILESCc1cc(Cl)cc(-c2cc3ccc(=O)[nH]c3nc2-c2ccccc2)c1
InChIInChI=1S/C21H15ClN2O/c1-13-9-16(11-17(22)10-13)18-12-15-7-8-19(25)23-21(15)24-20(18)14-5-3-2-4-6-14/h2-12H,1H3,(H,23,24,25)
InChIKeyGKFONWOGJYIJAD-UHFFFAOYSA-N
MW346.82 g/mol
LogP5.22
Rot. Bonds2

About 6-(3-chloro-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one

6-(3-chloro-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one (PubChem CID 137423287) has the molecular formula C21H15ClN2O and a molecular weight of 346.82 g/mol. Its IUPAC name is 6-(3-chloro-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(3-chloro-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one
PubChem CID137423287
Molecular FormulaC21H15ClN2O
Molecular Weight346.82 g/mol
Exact Mass346.09
IUPAC Name6-(3-chloro-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one
SMILESCc1cc(Cl)cc(-c2cc3ccc(=O)[nH]c3nc2-c2ccccc2)c1
InChIInChI=1S/C21H15ClN2O/c1-13-9-16(11-17(22)10-13)18-12-15-7-8-19(25)23-21(15)24-20(18)14-5-3-2-4-6-14/h2-12H,1H3,(H,23,24,25)
InChIKeyGKFONWOGJYIJAD-UHFFFAOYSA-N
XLogP5.22
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.82
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-(3-chloro-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one (CID 137423287) is 6-(3-chloro-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(3-chloro-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(3-chloro-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one is Cc1cc(Cl)cc(-c2cc3ccc(=O)[nH]c3nc2-c2ccccc2)c1.
What is the InChIKey of 6-(3-chloro-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one?
The InChIKey is GKFONWOGJYIJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O/c1-13-9-16(11-17(22)10-13)18-12-15-7-8-19(25)23-21(15)24-20(18)14-5-3-2-4-6-14/h2-12H,1H3,(H,23,24,25).
What are the key properties of 6-(3-chloro-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one?
6-(3-chloro-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one has a molecular weight of 346.82 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137423287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).