N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide

C21H29N5O3 — CID 22707685

IUPACN-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
SMILESCOc1cc2ncnc(N3CCN(C(=O)NC4CCCCC4)CC3)c2cc1OC
InChIInChI=1S/C21H29N5O3/c1-28-18-12-16-17(13-19(18)29-2)22-14-23-20(16)25-8-10-26(11-9-25)21(27)24-15-6-4-3-5-7-15/h12-15H,3-11H2,1-2H3,(H,24,27)
InChIKeyFNGALUVCGZXYEO-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.81
Rot. Bonds4

About N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide

N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide (PubChem CID 22707685) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
PubChem CID22707685
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC NameN-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
SMILESCOc1cc2ncnc(N3CCN(C(=O)NC4CCCCC4)CC3)c2cc1OC
InChIInChI=1S/C21H29N5O3/c1-28-18-12-16-17(13-19(18)29-2)22-14-23-20(16)25-8-10-26(11-9-25)21(27)24-15-6-4-3-5-7-15/h12-15H,3-11H2,1-2H3,(H,24,27)
InChIKeyFNGALUVCGZXYEO-UHFFFAOYSA-N
XLogP2.81
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)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

cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 72722510
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
N-(4-aminophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707383
N-cyclopropyl-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-3-carboxamide
CID 165435283
(2S)-2-amino-N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-methylbutanamide;dihydrochloride
CID 18607961
4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 11015336
4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 11112014
2-amino-1-[4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 156824002
N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357922
4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-propan-2-ylphenyl)piperazine-1-carboxamide
CID 22707451
4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707631

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide (CID 22707685) is N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide is COc1cc2ncnc(N3CCN(C(=O)NC4CCCCC4)CC3)c2cc1OC.
What is the InChIKey of N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide?
The InChIKey is FNGALUVCGZXYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-28-18-12-16-17(13-19(18)29-2)22-14-23-20(16)25-8-10-26(11-9-25)21(27)24-15-6-4-3-5-7-15/h12-15H,3-11H2,1-2H3,(H,24,27).
What are the key properties of N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide?
N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 22707685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).