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

C24H20ClN3O2 — CID 137438922

IUPAC6-(2-chloro-6-methyl-4-pyridinyl)-3-(2-methylpropanoyl)-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)c(C(=O)C(C)C)c[nH]c3nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C24H20ClN3O2/c1-13(2)22(29)19-12-26-24-18(23(19)30)11-17(16-9-14(3)27-20(25)10-16)21(28-24)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,26,28,30)
InChIKeyUOJAZTPEYFAHLO-UHFFFAOYSA-N
MW417.90 g/mol
LogP5.45
Rot. Bonds4

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

6-(2-chloro-6-methyl-4-pyridinyl)-3-(2-methylpropanoyl)-7-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 137438922) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-3-(2-methylpropanoyl)-7-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2-chloro-6-methyl-4-pyridinyl)-3-(2-methylpropanoyl)-7-phenyl-1H-1,8-naphthyridin-4-one
PubChem CID137438922
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-3-(2-methylpropanoyl)-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)c(C(=O)C(C)C)c[nH]c3nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C24H20ClN3O2/c1-13(2)22(29)19-12-26-24-18(23(19)30)11-17(16-9-14(3)27-20(25)10-16)21(28-24)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,26,28,30)
InChIKeyUOJAZTPEYFAHLO-UHFFFAOYSA-N
XLogP5.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.90
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-(2-chloro-6-methyl-4-pyridinyl)-3-(2-methylpropanoyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-3-(2-methylpropanoyl)-7-phenyl-1H-1,8-naphthyridin-4-one (CID 137438922) is 6-(2-chloro-6-methyl-4-pyridinyl)-3-(2-methylpropanoyl)-7-phenyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-3-(2-methylpropanoyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-3-(2-methylpropanoyl)-7-phenyl-1H-1,8-naphthyridin-4-one is Cc1cc(-c2cc3c(=O)c(C(=O)C(C)C)c[nH]c3nc2-c2ccccc2)cc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-3-(2-methylpropanoyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The InChIKey is UOJAZTPEYFAHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c1-13(2)22(29)19-12-26-24-18(23(19)30)11-17(16-9-14(3)27-20(25)10-16)21(28-24)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,26,28,30).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-3-(2-methylpropanoyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
6-(2-chloro-6-methyl-4-pyridinyl)-3-(2-methylpropanoyl)-7-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 417.90 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methyl-4-pyridinyl)-3-(2-methylpropanoyl)-7-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).