6-(2-chloro-6-methyl-4-pyridinyl)-3-[(4-methylphenyl)methyl]-7-phenyl-1H-1,8-naphthyridin-4-one

C28H22ClN3O — CID 137439002

IUPAC6-(2-chloro-6-methyl-4-pyridinyl)-3-[(4-methylphenyl)methyl]-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1ccc(Cc2c[nH]c3nc(-c4ccccc4)c(-c4cc(C)nc(Cl)c4)cc3c2=O)cc1
InChIInChI=1S/C28H22ClN3O/c1-17-8-10-19(11-9-17)13-22-16-30-28-24(27(22)33)15-23(21-12-18(2)31-25(29)14-21)26(32-28)20-6-4-3-5-7-20/h3-12,14-16H,13H2,1-2H3,(H,30,32,33)
InChIKeyRGTQOWITWBRHGY-UHFFFAOYSA-N
MW451.96 g/mol
LogP6.51
Rot. Bonds4

About 6-(2-chloro-6-methyl-4-pyridinyl)-3-[(4-methylphenyl)methyl]-7-phenyl-1H-1,8-naphthyridin-4-one

6-(2-chloro-6-methyl-4-pyridinyl)-3-[(4-methylphenyl)methyl]-7-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 137439002) has the molecular formula C28H22ClN3O and a molecular weight of 451.96 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-3-[(4-methylphenyl)methyl]-7-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2-chloro-6-methyl-4-pyridinyl)-3-[(4-methylphenyl)methyl]-7-phenyl-1H-1,8-naphthyridin-4-one
PubChem CID137439002
Molecular FormulaC28H22ClN3O
Molecular Weight451.96 g/mol
Exact Mass451.15
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-3-[(4-methylphenyl)methyl]-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1ccc(Cc2c[nH]c3nc(-c4ccccc4)c(-c4cc(C)nc(Cl)c4)cc3c2=O)cc1
InChIInChI=1S/C28H22ClN3O/c1-17-8-10-19(11-9-17)13-22-16-30-28-24(27(22)33)15-23(21-12-18(2)31-25(29)14-21)26(32-28)20-6-4-3-5-7-20/h3-12,14-16H,13H2,1-2H3,(H,30,32,33)
InChIKeyRGTQOWITWBRHGY-UHFFFAOYSA-N
XLogP6.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.96
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137438945
2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-7-prop-2-ynyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657380
7-(benzenesulfinylmethyl)-2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 155006971
7-[3-[[6-chloro-4-[6-[(4-methylpiperazin-1-yl)methyl]-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-6-(2-chloro-6-methyl-4-pyridinyl)-2-(2-ethylpentyl)-1H-1,8-naphthyridin-4-one
CID 155170991
6-(2-chloro-6-methyl-4-pyridinyl)-2-(phenoxymethyl)-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137438387
6-(2-chloro-6-methyl-4-pyridinyl)-N-[(4-hydroxyphenyl)methyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-sulfinamide
CID 137438372
6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-3-pyridin-2-yl-1H-1,8-naphthyridin-4-one
CID 137438886
2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-7-carbaldehyde;ethane;N-[(3-methylphenyl)methylsulfanyl]methanamine
CID 154657123
N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]methyl]-6-methylpyridine-3-sulfonamide
CID 155007014
2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-6-carbaldehyde
CID 154656934
6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(4-chloro-2-methyl-1,3-benzoxazol-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-(2-phenylethyl)-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(2,6-dimethyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one
CID 158375627
2-[4-(aminomethyl)phenyl]-8-(3,5-dimethylphenyl)-3-phenyl-6H-1,6-naphthyridin-5-one;hydrochloride
CID 173037997

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-3-[(4-methylphenyl)methyl]-7-phenyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-3-[(4-methylphenyl)methyl]-7-phenyl-1H-1,8-naphthyridin-4-one (CID 137439002) is 6-(2-chloro-6-methyl-4-pyridinyl)-3-[(4-methylphenyl)methyl]-7-phenyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-3-[(4-methylphenyl)methyl]-7-phenyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-3-[(4-methylphenyl)methyl]-7-phenyl-1H-1,8-naphthyridin-4-one is Cc1ccc(Cc2c[nH]c3nc(-c4ccccc4)c(-c4cc(C)nc(Cl)c4)cc3c2=O)cc1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-3-[(4-methylphenyl)methyl]-7-phenyl-1H-1,8-naphthyridin-4-one?
The InChIKey is RGTQOWITWBRHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClN3O/c1-17-8-10-19(11-9-17)13-22-16-30-28-24(27(22)33)15-23(21-12-18(2)31-25(29)14-21)26(32-28)20-6-4-3-5-7-20/h3-12,14-16H,13H2,1-2H3,(H,30,32,33).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-3-[(4-methylphenyl)methyl]-7-phenyl-1H-1,8-naphthyridin-4-one?
6-(2-chloro-6-methyl-4-pyridinyl)-3-[(4-methylphenyl)methyl]-7-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 451.96 g/mol, XLogP of 6.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methyl-4-pyridinyl)-3-[(4-methylphenyl)methyl]-7-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137439002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).