1-(2-chloro-6-methylphenyl)-2,5,8-trimethyl-1,6-naphthyridin-4-one

C18H17ClN2O — CID 167180648

IUPAC1-(2-chloro-6-methylphenyl)-2,5,8-trimethyl-1,6-naphthyridin-4-one
SMILESCc1cccc(Cl)c1-n1c(C)cc(=O)c2c(C)ncc(C)c21
InChIInChI=1S/C18H17ClN2O/c1-10-6-5-7-14(19)17(10)21-12(3)8-15(22)16-13(4)20-9-11(2)18(16)21/h5-9H,1-4H3
InChIKeyUJASJTTVRHONCD-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.27
Rot. Bonds1

About 1-(2-chloro-6-methylphenyl)-2,5,8-trimethyl-1,6-naphthyridin-4-one

1-(2-chloro-6-methylphenyl)-2,5,8-trimethyl-1,6-naphthyridin-4-one (PubChem CID 167180648) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 1-(2-chloro-6-methylphenyl)-2,5,8-trimethyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name1-(2-chloro-6-methylphenyl)-2,5,8-trimethyl-1,6-naphthyridin-4-one
PubChem CID167180648
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name1-(2-chloro-6-methylphenyl)-2,5,8-trimethyl-1,6-naphthyridin-4-one
SMILESCc1cccc(Cl)c1-n1c(C)cc(=O)c2c(C)ncc(C)c21
InChIInChI=1S/C18H17ClN2O/c1-10-6-5-7-14(19)17(10)21-12(3)8-15(22)16-13(4)20-9-11(2)18(16)21/h5-9H,1-4H3
InChIKeyUJASJTTVRHONCD-UHFFFAOYSA-N
XLogP4.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-1-(2,6-dichlorophenyl)-5-(2-hydroxybut-3-en-2-yl)-2-methyl-1,6-naphthyridin-4-one
CID 134453232
8-chloro-1-(2,6-dichlorophenyl)-5-[2-[3-(2-hydroxyethoxy)-3-methylbutoxy]-2-methylpropoxy]-2-methyl-1,6-naphthyridin-4-one
CID 142331411
8-cyclopropyl-1-(2,6-dichlorophenyl)-5-(2,3-dihydroxypropoxy)-2-methyl-1,6-naphthyridin-4-one
CID 134453202
3-chloro-4-(2-chloro-6-methylphenyl)-5-phenyl-1,2,4-triazole
CID 66253948
4-amino-7-chloro-3-(2-chloro-6-methylphenyl)pyrimido[4,5-d]pyrimidin-2-one
CID 58290014
1-(2-chloro-6-ethylphenyl)-5-(2,3-dihydroxypropoxy)-7-ethyl-2-methyl-1,6-naphthyridin-4-one
CID 134453222
5,8-dichloro-2-cyclopropyl-1-(2,6-dichlorophenyl)-1,6-naphthyridin-4-one
CID 160664174
2-[1-(2-chloro-6-methylphenyl)-5-ethylimidazol-2-yl]sulfanylacetic acid
CID 81343707
4-chloro-1-(2-chloro-6-methylphenyl)benzimidazol-2-amine
CID 104837184
3-(aminomethyl)-1-(2,6-dimethylphenyl)-6-methylpyridazin-4-one
CID 82420285
4-amino-5-(2-chloro-6-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169331307
ethyl 5-amino-1-(2-chloro-6-methylphenyl)-2-methylimidazole-4-carboxylate
CID 66251247

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylphenyl)-2,5,8-trimethyl-1,6-naphthyridin-4-one?
The IUPAC name of 1-(2-chloro-6-methylphenyl)-2,5,8-trimethyl-1,6-naphthyridin-4-one (CID 167180648) is 1-(2-chloro-6-methylphenyl)-2,5,8-trimethyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 1-(2-chloro-6-methylphenyl)-2,5,8-trimethyl-1,6-naphthyridin-4-one?
The canonical SMILES for 1-(2-chloro-6-methylphenyl)-2,5,8-trimethyl-1,6-naphthyridin-4-one is Cc1cccc(Cl)c1-n1c(C)cc(=O)c2c(C)ncc(C)c21.
What is the InChIKey of 1-(2-chloro-6-methylphenyl)-2,5,8-trimethyl-1,6-naphthyridin-4-one?
The InChIKey is UJASJTTVRHONCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-10-6-5-7-14(19)17(10)21-12(3)8-15(22)16-13(4)20-9-11(2)18(16)21/h5-9H,1-4H3.
What are the key properties of 1-(2-chloro-6-methylphenyl)-2,5,8-trimethyl-1,6-naphthyridin-4-one?
1-(2-chloro-6-methylphenyl)-2,5,8-trimethyl-1,6-naphthyridin-4-one has a molecular weight of 312.80 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylphenyl)-2,5,8-trimethyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 167180648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).