4-(2-phenylquinazolin-4-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

C28H29N5O — CID 24720206

IUPAC4-(2-phenylquinazolin-4-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C28H29N5O/c1-20(2)21-12-14-23(15-13-21)29-28(34)33-18-16-32(17-19-33)27-24-10-6-7-11-25(24)30-26(31-27)22-8-4-3-5-9-22/h3-15,20H,16-19H2,1-2H3,(H,29,34)
InChIKeyJQVWEGZEEPZYOB-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.77
Rot. Bonds4

About 4-(2-phenylquinazolin-4-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

4-(2-phenylquinazolin-4-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 24720206) has the molecular formula C28H29N5O and a molecular weight of 451.57 g/mol. Its IUPAC name is 4-(2-phenylquinazolin-4-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-phenylquinazolin-4-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID24720206
Molecular FormulaC28H29N5O
Molecular Weight451.57 g/mol
Exact Mass451.24
IUPAC Name4-(2-phenylquinazolin-4-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C28H29N5O/c1-20(2)21-12-14-23(15-13-21)29-28(34)33-18-16-32(17-19-33)27-24-10-6-7-11-25(24)30-26(31-27)22-8-4-3-5-9-22/h3-15,20H,16-19H2,1-2H3,(H,29,34)
InChIKeyJQVWEGZEEPZYOB-UHFFFAOYSA-N
XLogP5.77
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-phenylquinazolin-4-yl)-N-(4-propan-2-ylphenyl)piperazine-1-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

4-[2-(3-bromophenyl)quinazolin-4-yl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 24720210
4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 3703846
4-(6,7-dimethoxy-2-phenylquinazolin-4-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 22707703
4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3247736
4-benzoyl-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide
CID 24948679
N-(2,6-dimethylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 3556625
4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 10200562
N-phenyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide
CID 2951839
N-(3-methylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide
CID 5169182
N-(4-methylphenyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111349
N-(4-chlorophenyl)-4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxamide
CID 53052187
(2R)-2-hydroxy-4-methyl-1-[4-(7-methyl-2-phenylquinazolin-4-yl)piperazin-1-yl]pentan-1-one
CID 70835274

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylquinazolin-4-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-phenylquinazolin-4-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (CID 24720206) is 4-(2-phenylquinazolin-4-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-phenylquinazolin-4-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-phenylquinazolin-4-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is CC(C)c1ccc(NC(=O)N2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)cc1.
What is the InChIKey of 4-(2-phenylquinazolin-4-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is JQVWEGZEEPZYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O/c1-20(2)21-12-14-23(15-13-21)29-28(34)33-18-16-32(17-19-33)27-24-10-6-7-11-25(24)30-26(31-27)22-8-4-3-5-9-22/h3-15,20H,16-19H2,1-2H3,(H,29,34).
What are the key properties of 4-(2-phenylquinazolin-4-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
4-(2-phenylquinazolin-4-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylquinazolin-4-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 24720206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).