N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide

C32H38N6O — CID 45487463

IUPACN-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(C(=O)Nc3ccc(CNc4nc(N(C)C)nc5cc(C)ccc45)cc3)CC2)cc1
InChIInChI=1S/C32H38N6O/c1-22-5-8-25(9-6-22)21-38-17-15-26(16-18-38)31(39)34-27-12-10-24(11-13-27)20-33-30-28-14-7-23(2)19-29(28)35-32(36-30)37(3)4/h5-14,19,26H,15-18,20-21H2,1-4H3,(H,34,39)(H,33,35,36)
InChIKeyBAHPJNWHTFCKKZ-UHFFFAOYSA-N
MW522.70 g/mol
LogP5.78
Rot. Bonds8

About N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide

N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 45487463) has the molecular formula C32H38N6O and a molecular weight of 522.70 g/mol. Its IUPAC name is N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID45487463
Molecular FormulaC32H38N6O
Molecular Weight522.70 g/mol
Exact Mass522.31
IUPAC NameN-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(C(=O)Nc3ccc(CNc4nc(N(C)C)nc5cc(C)ccc45)cc3)CC2)cc1
InChIInChI=1S/C32H38N6O/c1-22-5-8-25(9-6-22)21-38-17-15-26(16-18-38)31(39)34-27-12-10-24(11-13-27)20-33-30-28-14-7-23(2)19-29(28)35-32(36-30)37(3)4/h5-14,19,26H,15-18,20-21H2,1-4H3,(H,34,39)(H,33,35,36)
InChIKeyBAHPJNWHTFCKKZ-UHFFFAOYSA-N
XLogP5.78
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.70
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide 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 N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 45487463) is N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(CN2CCC(C(=O)Nc3ccc(CNc4nc(N(C)C)nc5cc(C)ccc45)cc3)CC2)cc1.
What is the InChIKey of N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is BAHPJNWHTFCKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O/c1-22-5-8-25(9-6-22)21-38-17-15-26(16-18-38)31(39)34-27-12-10-24(11-13-27)20-33-30-28-14-7-23(2)19-29(28)35-32(36-30)37(3)4/h5-14,19,26H,15-18,20-21H2,1-4H3,(H,34,39)(H,33,35,36).
What are the key properties of N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 522.70 g/mol, XLogP of 5.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 45487463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).