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

C15H19N5O3 — CID 86756553

IUPAC4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
SMILESCOc1cc2ncnc(N3CCN(C(N)=O)CC3)c2cc1OC
InChIInChI=1S/C15H19N5O3/c1-22-12-7-10-11(8-13(12)23-2)17-9-18-14(10)19-3-5-20(6-4-19)15(16)21/h7-9H,3-6H2,1-2H3,(H2,16,21)
InChIKeyHDIUGBRIGYEVRU-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.85
Rot. Bonds3

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

4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide (PubChem CID 86756553) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
PubChem CID86756553
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
SMILESCOc1cc2ncnc(N3CCN(C(N)=O)CC3)c2cc1OC
InChIInChI=1S/C15H19N5O3/c1-22-12-7-10-11(8-13(12)23-2)17-9-18-14(10)19-3-5-20(6-4-19)15(16)21/h7-9H,3-6H2,1-2H3,(H2,16,21)
InChIKeyHDIUGBRIGYEVRU-UHFFFAOYSA-N
XLogP0.85
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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

cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630
2-amino-1-[4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 156824002
4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707631
N-(4-aminophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707383
cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 72722510
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707685
4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide
CID 10973305
4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 155267479
4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707591
tert-butyl 4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylate
CID 11429163

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide (CID 86756553) is 4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide is COc1cc2ncnc(N3CCN(C(N)=O)CC3)c2cc1OC.
What is the InChIKey of 4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide?
The InChIKey is HDIUGBRIGYEVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-22-12-7-10-11(8-13(12)23-2)17-9-18-14(10)19-3-5-20(6-4-19)15(16)21/h7-9H,3-6H2,1-2H3,(H2,16,21).
What are the key properties of 4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide?
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 86756553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).