4-[[6,7-dimethoxy-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-propylbenzamide

C29H36N4O6 — CID 98321214

IUPAC4-[[6,7-dimethoxy-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)N3CCC[C@@H](C)C3)c2=O)cc1
InChIInChI=1S/C29H36N4O6/c1-5-12-30-27(35)21-10-8-20(9-11-21)17-33-28(36)22-14-24(38-3)25(39-4)15-23(22)32(29(33)37)18-26(34)31-13-6-7-19(2)16-31/h8-11,14-15,19H,5-7,12-13,16-18H2,1-4H3,(H,30,35)/t19-/m1/s1
InChIKeyQGLVNZQXTPYMNG-LJQANCHMSA-N
MW536.63 g/mol
LogP2.63
Rot. Bonds9

About 4-[[6,7-dimethoxy-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-propylbenzamide

4-[[6,7-dimethoxy-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-propylbenzamide (PubChem CID 98321214) has the molecular formula C29H36N4O6 and a molecular weight of 536.63 g/mol. Its IUPAC name is 4-[[6,7-dimethoxy-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[6,7-dimethoxy-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-propylbenzamide
PubChem CID98321214
Molecular FormulaC29H36N4O6
Molecular Weight536.63 g/mol
Exact Mass536.26
IUPAC Name4-[[6,7-dimethoxy-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)N3CCC[C@@H](C)C3)c2=O)cc1
InChIInChI=1S/C29H36N4O6/c1-5-12-30-27(35)21-10-8-20(9-11-21)17-33-28(36)22-14-24(38-3)25(39-4)15-23(22)32(29(33)37)18-26(34)31-13-6-7-19(2)16-31/h8-11,14-15,19H,5-7,12-13,16-18H2,1-4H3,(H,30,35)/t19-/m1/s1
InChIKeyQGLVNZQXTPYMNG-LJQANCHMSA-N
XLogP2.63
TPSA111.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.63
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[[6,7-dimethoxy-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-propylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

6,7-dimethoxy-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione
CID 50793415
N-butyl-4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propylamino)ethyl]quinazolin-3-yl]methyl]benzamide
CID 50793511
4-[[1-[2-(butan-2-ylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 50793306
N-butyl-4-[[1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 50793305
N-butan-2-yl-4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]methyl]benzamide
CID 50793368
N-butyl-4-[[1-[(3-fluorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 50793341
N-[(2R)-butan-2-yl]-2-[6,7-dimethoxy-2,4-dioxo-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]quinazolin-1-yl]acetamide
CID 95050239
N-[(2S)-butan-2-yl]-2-[6,7-dimethoxy-2,4-dioxo-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]quinazolin-1-yl]acetamide
CID 95050240
N-butyl-4-[[1-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 50793544
N-cyclopentyl-4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 50793472
4-[(1-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl)methyl]-N-(3-methoxypropyl)benzamide
CID 50793484
4-[[1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 50793489

Frequently Asked Questions

What is the IUPAC name of 4-[[6,7-dimethoxy-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-propylbenzamide?
The IUPAC name of 4-[[6,7-dimethoxy-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-propylbenzamide (CID 98321214) is 4-[[6,7-dimethoxy-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-propylbenzamide.
What is the SMILES notation for 4-[[6,7-dimethoxy-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-propylbenzamide?
The canonical SMILES for 4-[[6,7-dimethoxy-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-propylbenzamide is CCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)N3CCC[C@@H](C)C3)c2=O)cc1.
What is the InChIKey of 4-[[6,7-dimethoxy-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-propylbenzamide?
The InChIKey is QGLVNZQXTPYMNG-LJQANCHMSA-N. The full InChI is InChI=1S/C29H36N4O6/c1-5-12-30-27(35)21-10-8-20(9-11-21)17-33-28(36)22-14-24(38-3)25(39-4)15-23(22)32(29(33)37)18-26(34)31-13-6-7-19(2)16-31/h8-11,14-15,19H,5-7,12-13,16-18H2,1-4H3,(H,30,35)/t19-/m1/s1.
What are the key properties of 4-[[6,7-dimethoxy-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-propylbenzamide?
4-[[6,7-dimethoxy-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-propylbenzamide has a molecular weight of 536.63 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6,7-dimethoxy-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-propylbenzamide is sourced from PubChem (CID 98321214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).