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

C30H40N6O — CID 45487527

IUPAC1-cyclohexyl-N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]piperidine-4-carboxamide
SMILESCc1ccc2c(NCc3ccc(NC(=O)C4CCN(C5CCCCC5)CC4)cc3)nc(N(C)C)nc2c1
InChIInChI=1S/C30H40N6O/c1-21-9-14-26-27(19-21)33-30(35(2)3)34-28(26)31-20-22-10-12-24(13-11-22)32-29(37)23-15-17-36(18-16-23)25-7-5-4-6-8-25/h9-14,19,23,25H,4-8,15-18,20H2,1-3H3,(H,32,37)(H,31,33,34)
InChIKeyYOTKDEFXCGRSLS-UHFFFAOYSA-N
MW500.69 g/mol
LogP5.60
Rot. Bonds7

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

1-cyclohexyl-N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]piperidine-4-carboxamide (PubChem CID 45487527) has the molecular formula C30H40N6O and a molecular weight of 500.69 g/mol. Its IUPAC name is 1-cyclohexyl-N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]piperidine-4-carboxamide
PubChem CID45487527
Molecular FormulaC30H40N6O
Molecular Weight500.69 g/mol
Exact Mass500.33
IUPAC Name1-cyclohexyl-N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]piperidine-4-carboxamide
SMILESCc1ccc2c(NCc3ccc(NC(=O)C4CCN(C5CCCCC5)CC4)cc3)nc(N(C)C)nc2c1
InChIInChI=1S/C30H40N6O/c1-21-9-14-26-27(19-21)33-30(35(2)3)34-28(26)31-20-22-10-12-24(13-11-22)32-29(37)23-15-17-36(18-16-23)25-7-5-4-6-8-25/h9-14,19,23,25H,4-8,15-18,20H2,1-3H3,(H,32,37)(H,31,33,34)
InChIKeyYOTKDEFXCGRSLS-UHFFFAOYSA-N
XLogP5.60
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.69
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-cyclohexyl-N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]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 1-cyclohexyl-N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]piperidine-4-carboxamide (CID 45487527) is 1-cyclohexyl-N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]piperidine-4-carboxamide is Cc1ccc2c(NCc3ccc(NC(=O)C4CCN(C5CCCCC5)CC4)cc3)nc(N(C)C)nc2c1.
What is the InChIKey of 1-cyclohexyl-N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]piperidine-4-carboxamide?
The InChIKey is YOTKDEFXCGRSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O/c1-21-9-14-26-27(19-21)33-30(35(2)3)34-28(26)31-20-22-10-12-24(13-11-22)32-29(37)23-15-17-36(18-16-23)25-7-5-4-6-8-25/h9-14,19,23,25H,4-8,15-18,20H2,1-3H3,(H,32,37)(H,31,33,34).
What are the key properties of 1-cyclohexyl-N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]piperidine-4-carboxamide?
1-cyclohexyl-N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]piperidine-4-carboxamide has a molecular weight of 500.69 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 45487527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).