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

C19H23N3O4 — CID 1457965

IUPACN-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)cyclobutanecarboxamide
SMILESCOc1cc2nc(C3CCC3)n(NC(=O)C3CCC3)c(=O)c2cc1OC
InChIInChI=1S/C19H23N3O4/c1-25-15-9-13-14(10-16(15)26-2)20-17(11-5-3-6-11)22(19(13)24)21-18(23)12-7-4-8-12/h9-12H,3-8H2,1-2H3,(H,21,23)
InChIKeyDTCJGZUHCORMNG-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.55
Rot. Bonds5

About N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)cyclobutanecarboxamide

N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)cyclobutanecarboxamide (PubChem CID 1457965) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)cyclobutanecarboxamide
PubChem CID1457965
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)cyclobutanecarboxamide
SMILESCOc1cc2nc(C3CCC3)n(NC(=O)C3CCC3)c(=O)c2cc1OC
InChIInChI=1S/C19H23N3O4/c1-25-15-9-13-14(10-16(15)26-2)20-17(11-5-3-6-11)22(19(13)24)21-18(23)12-7-4-8-12/h9-12H,3-8H2,1-2H3,(H,21,23)
InChIKeyDTCJGZUHCORMNG-UHFFFAOYSA-N
XLogP2.55
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-Dimethoxy-3H-quinazolin-4-one
CID 135495016
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
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520
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
6,7-dimethoxy-2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135511100

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)cyclobutanecarboxamide?
The IUPAC name of N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)cyclobutanecarboxamide (CID 1457965) is N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)cyclobutanecarboxamide is COc1cc2nc(C3CCC3)n(NC(=O)C3CCC3)c(=O)c2cc1OC.
What is the InChIKey of N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)cyclobutanecarboxamide?
The InChIKey is DTCJGZUHCORMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-25-15-9-13-14(10-16(15)26-2)20-17(11-5-3-6-11)22(19(13)24)21-18(23)12-7-4-8-12/h9-12H,3-8H2,1-2H3,(H,21,23).
What are the key properties of N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)cyclobutanecarboxamide?
N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)cyclobutanecarboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)cyclobutanecarboxamide is sourced from PubChem (CID 1457965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).