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

C21H27N3O5 — CID 1457930

IUPACN-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-methoxycyclohexane-1-carboxamide
SMILESCOc1cc2nc(C3CC3)n(NC(=O)C3CCC(OC)CC3)c(=O)c2cc1OC
InChIInChI=1S/C21H27N3O5/c1-27-14-8-6-13(7-9-14)20(25)23-24-19(12-4-5-12)22-16-11-18(29-3)17(28-2)10-15(16)21(24)26/h10-14H,4-9H2,1-3H3,(H,23,25)
InChIKeyYXWJVJKSXQKAIP-UHFFFAOYSA-N
MW401.46 g/mol
LogP2.57
Rot. Bonds6

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

N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-methoxycyclohexane-1-carboxamide (PubChem CID 1457930) has the molecular formula C21H27N3O5 and a molecular weight of 401.46 g/mol. Its IUPAC name is N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-methoxycyclohexane-1-carboxamide
PubChem CID1457930
Molecular FormulaC21H27N3O5
Molecular Weight401.46 g/mol
Exact Mass401.20
IUPAC NameN-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-methoxycyclohexane-1-carboxamide
SMILESCOc1cc2nc(C3CC3)n(NC(=O)C3CCC(OC)CC3)c(=O)c2cc1OC
InChIInChI=1S/C21H27N3O5/c1-27-14-8-6-13(7-9-14)20(25)23-24-19(12-4-5-12)22-16-11-18(29-3)17(28-2)10-15(16)21(24)26/h10-14H,4-9H2,1-3H3,(H,23,25)
InChIKeyYXWJVJKSXQKAIP-UHFFFAOYSA-N
XLogP2.57
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-methoxycyclohexane-1-carboxamide with MolForge

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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
3-Methoxy-cyclohexanecarboxylic acid (2-cyclobutyl-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl)-amide
CID 653945
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

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-methoxycyclohexane-1-carboxamide?
The IUPAC name of N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-methoxycyclohexane-1-carboxamide (CID 1457930) is N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-methoxycyclohexane-1-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-methoxycyclohexane-1-carboxamide is COc1cc2nc(C3CC3)n(NC(=O)C3CCC(OC)CC3)c(=O)c2cc1OC.
What is the InChIKey of N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-methoxycyclohexane-1-carboxamide?
The InChIKey is YXWJVJKSXQKAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5/c1-27-14-8-6-13(7-9-14)20(25)23-24-19(12-4-5-12)22-16-11-18(29-3)17(28-2)10-15(16)21(24)26/h10-14H,4-9H2,1-3H3,(H,23,25).
What are the key properties of N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-methoxycyclohexane-1-carboxamide?
N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-methoxycyclohexane-1-carboxamide has a molecular weight of 401.46 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 1457930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).