4-(4-butan-2-yl-3-methylphenyl)-2,6-dimethyl-7,8-dihydro-5H-2,6-naphthyridin-1-one

C21H28N2O — CID 168925853

IUPAC4-(4-butan-2-yl-3-methylphenyl)-2,6-dimethyl-7,8-dihydro-5H-2,6-naphthyridin-1-one
SMILESCCC(C)c1ccc(-c2cn(C)c(=O)c3c2CN(C)CC3)cc1C
InChIInChI=1S/C21H28N2O/c1-6-14(2)17-8-7-16(11-15(17)3)19-13-23(5)21(24)18-9-10-22(4)12-20(18)19/h7-8,11,13-14H,6,9-10,12H2,1-5H3
InChIKeyMVXQMEMMCJJKJM-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.86
Rot. Bonds3

About 4-(4-butan-2-yl-3-methylphenyl)-2,6-dimethyl-7,8-dihydro-5H-2,6-naphthyridin-1-one

4-(4-butan-2-yl-3-methylphenyl)-2,6-dimethyl-7,8-dihydro-5H-2,6-naphthyridin-1-one (PubChem CID 168925853) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-(4-butan-2-yl-3-methylphenyl)-2,6-dimethyl-7,8-dihydro-5H-2,6-naphthyridin-1-one.

Molecular Properties

Compound Name4-(4-butan-2-yl-3-methylphenyl)-2,6-dimethyl-7,8-dihydro-5H-2,6-naphthyridin-1-one
PubChem CID168925853
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name4-(4-butan-2-yl-3-methylphenyl)-2,6-dimethyl-7,8-dihydro-5H-2,6-naphthyridin-1-one
SMILESCCC(C)c1ccc(-c2cn(C)c(=O)c3c2CN(C)CC3)cc1C
InChIInChI=1S/C21H28N2O/c1-6-14(2)17-8-7-16(11-15(17)3)19-13-23(5)21(24)18-9-10-22(4)12-20(18)19/h7-8,11,13-14H,6,9-10,12H2,1-5H3
InChIKeyMVXQMEMMCJJKJM-UHFFFAOYSA-N
XLogP3.86
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-butan-2-yl-3-methylphenyl)-2,6-dimethyl-7,8-dihydro-5H-2,6-naphthyridin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-yl-3-methylphenyl)-2,6-dimethyl-7,8-dihydro-5H-2,6-naphthyridin-1-one?
The IUPAC name of 4-(4-butan-2-yl-3-methylphenyl)-2,6-dimethyl-7,8-dihydro-5H-2,6-naphthyridin-1-one (CID 168925853) is 4-(4-butan-2-yl-3-methylphenyl)-2,6-dimethyl-7,8-dihydro-5H-2,6-naphthyridin-1-one.
What is the SMILES notation for 4-(4-butan-2-yl-3-methylphenyl)-2,6-dimethyl-7,8-dihydro-5H-2,6-naphthyridin-1-one?
The canonical SMILES for 4-(4-butan-2-yl-3-methylphenyl)-2,6-dimethyl-7,8-dihydro-5H-2,6-naphthyridin-1-one is CCC(C)c1ccc(-c2cn(C)c(=O)c3c2CN(C)CC3)cc1C.
What is the InChIKey of 4-(4-butan-2-yl-3-methylphenyl)-2,6-dimethyl-7,8-dihydro-5H-2,6-naphthyridin-1-one?
The InChIKey is MVXQMEMMCJJKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-6-14(2)17-8-7-16(11-15(17)3)19-13-23(5)21(24)18-9-10-22(4)12-20(18)19/h7-8,11,13-14H,6,9-10,12H2,1-5H3.
What are the key properties of 4-(4-butan-2-yl-3-methylphenyl)-2,6-dimethyl-7,8-dihydro-5H-2,6-naphthyridin-1-one?
4-(4-butan-2-yl-3-methylphenyl)-2,6-dimethyl-7,8-dihydro-5H-2,6-naphthyridin-1-one has a molecular weight of 324.47 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-yl-3-methylphenyl)-2,6-dimethyl-7,8-dihydro-5H-2,6-naphthyridin-1-one is sourced from PubChem (CID 168925853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).