7-chloro-3-(3,5-dimethoxy-2,6-dimethylphenyl)-1-methyl-1,6-naphthyridin-2-one

C19H19ClN2O3 — CID 139396179

IUPAC7-chloro-3-(3,5-dimethoxy-2,6-dimethylphenyl)-1-methyl-1,6-naphthyridin-2-one
SMILESCOc1cc(OC)c(C)c(-c2cc3cnc(Cl)cc3n(C)c2=O)c1C
InChIInChI=1S/C19H19ClN2O3/c1-10-15(24-4)8-16(25-5)11(2)18(10)13-6-12-9-21-17(20)7-14(12)22(3)19(13)23/h6-9H,1-5H3
InChIKeyMKUKCWWITQJPHU-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.89
Rot. Bonds3

About 7-chloro-3-(3,5-dimethoxy-2,6-dimethylphenyl)-1-methyl-1,6-naphthyridin-2-one

7-chloro-3-(3,5-dimethoxy-2,6-dimethylphenyl)-1-methyl-1,6-naphthyridin-2-one (PubChem CID 139396179) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 7-chloro-3-(3,5-dimethoxy-2,6-dimethylphenyl)-1-methyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-3-(3,5-dimethoxy-2,6-dimethylphenyl)-1-methyl-1,6-naphthyridin-2-one
PubChem CID139396179
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name7-chloro-3-(3,5-dimethoxy-2,6-dimethylphenyl)-1-methyl-1,6-naphthyridin-2-one
SMILESCOc1cc(OC)c(C)c(-c2cc3cnc(Cl)cc3n(C)c2=O)c1C
InChIInChI=1S/C19H19ClN2O3/c1-10-15(24-4)8-16(25-5)11(2)18(10)13-6-12-9-21-17(20)7-14(12)22(3)19(13)23/h6-9H,1-5H3
InChIKeyMKUKCWWITQJPHU-UHFFFAOYSA-N
XLogP3.89
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 7-chloro-3-(3,5-dimethoxy-2,6-dimethylphenyl)-1-methyl-1,6-naphthyridin-2-one?
The IUPAC name of 7-chloro-3-(3,5-dimethoxy-2,6-dimethylphenyl)-1-methyl-1,6-naphthyridin-2-one (CID 139396179) is 7-chloro-3-(3,5-dimethoxy-2,6-dimethylphenyl)-1-methyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-3-(3,5-dimethoxy-2,6-dimethylphenyl)-1-methyl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-chloro-3-(3,5-dimethoxy-2,6-dimethylphenyl)-1-methyl-1,6-naphthyridin-2-one is COc1cc(OC)c(C)c(-c2cc3cnc(Cl)cc3n(C)c2=O)c1C.
What is the InChIKey of 7-chloro-3-(3,5-dimethoxy-2,6-dimethylphenyl)-1-methyl-1,6-naphthyridin-2-one?
The InChIKey is MKUKCWWITQJPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-10-15(24-4)8-16(25-5)11(2)18(10)13-6-12-9-21-17(20)7-14(12)22(3)19(13)23/h6-9H,1-5H3.
What are the key properties of 7-chloro-3-(3,5-dimethoxy-2,6-dimethylphenyl)-1-methyl-1,6-naphthyridin-2-one?
7-chloro-3-(3,5-dimethoxy-2,6-dimethylphenyl)-1-methyl-1,6-naphthyridin-2-one has a molecular weight of 358.83 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3,5-dimethoxy-2,6-dimethylphenyl)-1-methyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 139396179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).