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

C27H20ClN3O2 — CID 137438387

IUPAC6-(2-chloro-6-methyl-4-pyridinyl)-2-(phenoxymethyl)-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)cc(COc4ccccc4)[nH]c3nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C27H20ClN3O2/c1-17-12-19(13-25(28)29-17)22-15-23-24(32)14-20(16-33-21-10-6-3-7-11-21)30-27(23)31-26(22)18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,30,31,32)
InChIKeyZEXZDJVJLLZUQE-UHFFFAOYSA-N
MW453.93 g/mol
LogP6.19
Rot. Bonds5

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

6-(2-chloro-6-methyl-4-pyridinyl)-2-(phenoxymethyl)-7-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 137438387) has the molecular formula C27H20ClN3O2 and a molecular weight of 453.93 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-2-(phenoxymethyl)-7-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2-chloro-6-methyl-4-pyridinyl)-2-(phenoxymethyl)-7-phenyl-1H-1,8-naphthyridin-4-one
PubChem CID137438387
Molecular FormulaC27H20ClN3O2
Molecular Weight453.93 g/mol
Exact Mass453.12
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-2-(phenoxymethyl)-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)cc(COc4ccccc4)[nH]c3nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C27H20ClN3O2/c1-17-12-19(13-25(28)29-17)22-15-23-24(32)14-20(16-33-21-10-6-3-7-11-21)30-27(23)31-26(22)18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,30,31,32)
InChIKeyZEXZDJVJLLZUQE-UHFFFAOYSA-N
XLogP6.19
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.93
LogP ≤ 56.19
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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Related Compounds

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)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137438945
6-(2-chloro-6-methyl-4-pyridinyl)-3-[(4-methylphenyl)methyl]-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137439002
6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one
CID 137438212
6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-4-oxo-1H-1,8-naphthyridine-2-carbonitrile
CID 137438435
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
2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-6-carbaldehyde
CID 154656934
2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-6-pyridin-3-yl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657574
2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-7-prop-2-ynyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657380
6-(7-chloro-1H-indazol-5-yl)-4-ethyl-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438412
4-[2-[6-(8-chloroquinolin-6-yl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-2-oxoethyl]sulfinylbenzonitrile
CID 158425052
4-chloro-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438644

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-2-(phenoxymethyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-2-(phenoxymethyl)-7-phenyl-1H-1,8-naphthyridin-4-one (CID 137438387) is 6-(2-chloro-6-methyl-4-pyridinyl)-2-(phenoxymethyl)-7-phenyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-2-(phenoxymethyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-2-(phenoxymethyl)-7-phenyl-1H-1,8-naphthyridin-4-one is Cc1cc(-c2cc3c(=O)cc(COc4ccccc4)[nH]c3nc2-c2ccccc2)cc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-2-(phenoxymethyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The InChIKey is ZEXZDJVJLLZUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN3O2/c1-17-12-19(13-25(28)29-17)22-15-23-24(32)14-20(16-33-21-10-6-3-7-11-21)30-27(23)31-26(22)18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,30,31,32).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-2-(phenoxymethyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
6-(2-chloro-6-methyl-4-pyridinyl)-2-(phenoxymethyl)-7-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 453.93 g/mol, XLogP of 6.19, 5 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)-2-(phenoxymethyl)-7-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).