N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-3-methoxycyclohexane-1-carboxamide

C22H29N3O5 — CID 653945

IUPACN-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-3-methoxycyclohexane-1-carboxamide
SMILESCOc1cc2nc(C3CCC3)n(NC(=O)C3CCCC(OC)C3)c(=O)c2cc1OC
InChIInChI=1S/C22H29N3O5/c1-28-15-9-5-8-14(10-15)21(26)24-25-20(13-6-4-7-13)23-17-12-19(30-3)18(29-2)11-16(17)22(25)27/h11-15H,4-10H2,1-3H3,(H,24,26)
InChIKeyKFNHNXJPPJQSFF-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.96
Rot. Bonds6

About N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-3-methoxycyclohexane-1-carboxamide

N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-3-methoxycyclohexane-1-carboxamide (PubChem CID 653945) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-3-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-3-methoxycyclohexane-1-carboxamide
PubChem CID653945
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC NameN-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-3-methoxycyclohexane-1-carboxamide
SMILESCOc1cc2nc(C3CCC3)n(NC(=O)C3CCCC(OC)C3)c(=O)c2cc1OC
InChIInChI=1S/C22H29N3O5/c1-28-15-9-5-8-14(10-15)21(26)24-25-20(13-6-4-7-13)23-17-12-19(30-3)18(29-2)11-16(17)22(25)27/h11-15H,4-10H2,1-3H3,(H,24,26)
InChIKeyKFNHNXJPPJQSFF-UHFFFAOYSA-N
XLogP2.96
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-3-methoxycyclohexane-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

N-(6,7-dimethoxy-4-oxo-1,4-dihydroquinazolin-2-yl)benzamide
CID 135399549
3-Amino-2-cyclobutyl-6,7-dimethoxy-3H-quinazolin-4-one
CID 6488201
6,7-dimethoxy-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-quinazolin-4-one
CID 135415476
N-(2-Isobutyl-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl)-benzamide
CID 649633
N-(2-Cyclopropyl-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl)-4-fluoro-benzamide
CID 652489
N-(2-Isobutyl-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl)-2,4-dimethoxy-benzamide
CID 1457862
Cyclobutanecarboxylic acid (2-cyclobutyl-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl)-amide
CID 1457965
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520
2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135427473
2-[(4-benzylpiperidin-1-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135444021
2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-(3-methylbutyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135476410
2-[(Ethylamino)methyl]-6,7-dimethoxy-3,4-dihydroquinazolin-4-one
CID 135501961

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-3-methoxycyclohexane-1-carboxamide?
The IUPAC name of N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-3-methoxycyclohexane-1-carboxamide (CID 653945) is N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-3-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-3-methoxycyclohexane-1-carboxamide?
The canonical SMILES for N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-3-methoxycyclohexane-1-carboxamide is COc1cc2nc(C3CCC3)n(NC(=O)C3CCCC(OC)C3)c(=O)c2cc1OC.
What is the InChIKey of N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-3-methoxycyclohexane-1-carboxamide?
The InChIKey is KFNHNXJPPJQSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-28-15-9-5-8-14(10-15)21(26)24-25-20(13-6-4-7-13)23-17-12-19(30-3)18(29-2)11-16(17)22(25)27/h11-15H,4-10H2,1-3H3,(H,24,26).
What are the key properties of N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-3-methoxycyclohexane-1-carboxamide?
N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-3-methoxycyclohexane-1-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-3-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 653945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).