3-(3-acetylphenyl)-6-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(3-methylbut-2-enyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C27H32N4O2S — CID 26141430

IUPAC3-(3-acetylphenyl)-6-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(3-methylbut-2-enyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC(=O)c1cccc(-c2cc3c(n(CC=C(C)C)c2=O)CCN(Cc2cnc(N(C)C)s2)C3)c1
InChIInChI=1S/C27H32N4O2S/c1-18(2)9-12-31-25-10-11-30(17-23-15-28-27(34-23)29(4)5)16-22(25)14-24(26(31)33)21-8-6-7-20(13-21)19(3)32/h6-9,13-15H,10-12,16-17H2,1-5H3
InChIKeyVGVNDMBDROWHCF-UHFFFAOYSA-N
MW476.65 g/mol
LogP4.76
Rot. Bonds7

About 3-(3-acetylphenyl)-6-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(3-methylbut-2-enyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(3-acetylphenyl)-6-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(3-methylbut-2-enyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26141430) has the molecular formula C27H32N4O2S and a molecular weight of 476.65 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-6-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(3-methylbut-2-enyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(3-acetylphenyl)-6-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(3-methylbut-2-enyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26141430
Molecular FormulaC27H32N4O2S
Molecular Weight476.65 g/mol
Exact Mass476.22
IUPAC Name3-(3-acetylphenyl)-6-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(3-methylbut-2-enyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC(=O)c1cccc(-c2cc3c(n(CC=C(C)C)c2=O)CCN(Cc2cnc(N(C)C)s2)C3)c1
InChIInChI=1S/C27H32N4O2S/c1-18(2)9-12-31-25-10-11-30(17-23-15-28-27(34-23)29(4)5)16-22(25)14-24(26(31)33)21-8-6-7-20(13-21)19(3)32/h6-9,13-15H,10-12,16-17H2,1-5H3
InChIKeyVGVNDMBDROWHCF-UHFFFAOYSA-N
XLogP4.76
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.65
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(3-acetylphenyl)-6-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(3-methylbut-2-enyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-6-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(3-methylbut-2-enyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(3-acetylphenyl)-6-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(3-methylbut-2-enyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26141430) is 3-(3-acetylphenyl)-6-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(3-methylbut-2-enyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(3-acetylphenyl)-6-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(3-methylbut-2-enyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(3-acetylphenyl)-6-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(3-methylbut-2-enyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is CC(=O)c1cccc(-c2cc3c(n(CC=C(C)C)c2=O)CCN(Cc2cnc(N(C)C)s2)C3)c1.
What is the InChIKey of 3-(3-acetylphenyl)-6-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(3-methylbut-2-enyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is VGVNDMBDROWHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2S/c1-18(2)9-12-31-25-10-11-30(17-23-15-28-27(34-23)29(4)5)16-22(25)14-24(26(31)33)21-8-6-7-20(13-21)19(3)32/h6-9,13-15H,10-12,16-17H2,1-5H3.
What are the key properties of 3-(3-acetylphenyl)-6-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(3-methylbut-2-enyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(3-acetylphenyl)-6-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(3-methylbut-2-enyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 476.65 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-6-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(3-methylbut-2-enyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26141430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).