N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)thiophene-2-carboxamide

C27H29N3O2S — CID 42717222

IUPACN-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1)N(CC(C)C)C(=O)c1cccs1
InChIInChI=1S/C27H29N3O2S/c1-5-23(29(17-18(2)3)27(32)24-11-8-16-33-24)25-28-22-10-7-6-9-21(22)26(31)30(25)20-14-12-19(4)13-15-20/h6-16,18,23H,5,17H2,1-4H3
InChIKeyKWPCZNFMYNJFEV-UHFFFAOYSA-N
MW459.62 g/mol
LogP6.01
Rot. Bonds7

About N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)thiophene-2-carboxamide

N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)thiophene-2-carboxamide (PubChem CID 42717222) has the molecular formula C27H29N3O2S and a molecular weight of 459.62 g/mol. Its IUPAC name is N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)thiophene-2-carboxamide
PubChem CID42717222
Molecular FormulaC27H29N3O2S
Molecular Weight459.62 g/mol
Exact Mass459.20
IUPAC NameN-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1)N(CC(C)C)C(=O)c1cccs1
InChIInChI=1S/C27H29N3O2S/c1-5-23(29(17-18(2)3)27(32)24-11-8-16-33-24)25-28-22-10-7-6-9-21(22)26(31)30(25)20-14-12-19(4)13-15-20/h6-16,18,23H,5,17H2,1-4H3
InChIKeyKWPCZNFMYNJFEV-UHFFFAOYSA-N
XLogP6.01
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.62
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)thiophene-2-carboxamide 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

N-benzyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]thiophene-2-carboxamide
CID 42717251
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide
CID 42717218
N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 42721218
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 42719578
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 3920095
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-2-thiophen-2-ylacetamide
CID 42717198
N-benzyl-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]propanamide
CID 42717250
N-ethyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]thiophene-2-carboxamide
CID 42711162
N-(3-methylbutyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]hexanamide
CID 42717885
N-ethyl-2-fluoro-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42717191
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 42722880
N-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42717584

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)thiophene-2-carboxamide (CID 42717222) is N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)thiophene-2-carboxamide is CCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1)N(CC(C)C)C(=O)c1cccs1.
What is the InChIKey of N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is KWPCZNFMYNJFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2S/c1-5-23(29(17-18(2)3)27(32)24-11-8-16-33-24)25-28-22-10-7-6-9-21(22)26(31)30(25)20-14-12-19(4)13-15-20/h6-16,18,23H,5,17H2,1-4H3.
What are the key properties of N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 459.62 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 42717222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).