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

C26H18ClN3O — CID 137438588

IUPAC6-(2-chloro-6-methyl-4-pyridinyl)-3,7-diphenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)c(-c4ccccc4)c[nH]c3nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C26H18ClN3O/c1-16-12-19(13-23(27)29-16)20-14-21-25(31)22(17-8-4-2-5-9-17)15-28-26(21)30-24(20)18-10-6-3-7-11-18/h2-15H,1H3,(H,28,30,31)
InChIKeyNACZKIFZCMLGIF-UHFFFAOYSA-N
MW423.90 g/mol
LogP6.28
Rot. Bonds3

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

6-(2-chloro-6-methyl-4-pyridinyl)-3,7-diphenyl-1H-1,8-naphthyridin-4-one (PubChem CID 137438588) has the molecular formula C26H18ClN3O and a molecular weight of 423.90 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-3,7-diphenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2-chloro-6-methyl-4-pyridinyl)-3,7-diphenyl-1H-1,8-naphthyridin-4-one
PubChem CID137438588
Molecular FormulaC26H18ClN3O
Molecular Weight423.90 g/mol
Exact Mass423.11
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-3,7-diphenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)c(-c4ccccc4)c[nH]c3nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C26H18ClN3O/c1-16-12-19(13-23(27)29-16)20-14-21-25(31)22(17-8-4-2-5-9-17)15-28-26(21)30-24(20)18-10-6-3-7-11-18/h2-15H,1H3,(H,28,30,31)
InChIKeyNACZKIFZCMLGIF-UHFFFAOYSA-N
XLogP6.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.90
LogP ≤ 56.28
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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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-3,7-diphenyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-3,7-diphenyl-1H-1,8-naphthyridin-4-one (CID 137438588) is 6-(2-chloro-6-methyl-4-pyridinyl)-3,7-diphenyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-3,7-diphenyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-3,7-diphenyl-1H-1,8-naphthyridin-4-one is Cc1cc(-c2cc3c(=O)c(-c4ccccc4)c[nH]c3nc2-c2ccccc2)cc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-3,7-diphenyl-1H-1,8-naphthyridin-4-one?
The InChIKey is NACZKIFZCMLGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN3O/c1-16-12-19(13-23(27)29-16)20-14-21-25(31)22(17-8-4-2-5-9-17)15-28-26(21)30-24(20)18-10-6-3-7-11-18/h2-15H,1H3,(H,28,30,31).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-3,7-diphenyl-1H-1,8-naphthyridin-4-one?
6-(2-chloro-6-methyl-4-pyridinyl)-3,7-diphenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 423.90 g/mol, XLogP of 6.28, 3 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)-3,7-diphenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).