N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-fluorobenzamide

C20H18FN3O4 — CID 652489

IUPACN-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-fluorobenzamide
SMILESCOc1cc2nc(C3CC3)n(NC(=O)c3ccc(F)cc3)c(=O)c2cc1OC
InChIInChI=1S/C20H18FN3O4/c1-27-16-9-14-15(10-17(16)28-2)22-18(11-3-4-11)24(20(14)26)23-19(25)12-5-7-13(21)8-6-12/h5-11H,3-4H2,1-2H3,(H,23,25)
InChIKeyZKHBECMTFMLSQW-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.81
Rot. Bonds5

About N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-fluorobenzamide

N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-fluorobenzamide (PubChem CID 652489) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-fluorobenzamide
PubChem CID652489
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC NameN-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-fluorobenzamide
SMILESCOc1cc2nc(C3CC3)n(NC(=O)c3ccc(F)cc3)c(=O)c2cc1OC
InChIInChI=1S/C20H18FN3O4/c1-27-16-9-14-15(10-17(16)28-2)22-18(11-3-4-11)24(20(14)26)23-19(25)12-5-7-13(21)8-6-12/h5-11H,3-4H2,1-2H3,(H,23,25)
InChIKeyZKHBECMTFMLSQW-UHFFFAOYSA-N
XLogP2.81
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6,7-dimethoxy-4-oxo-1,4-dihydroquinazolin-2-yl)benzamide
CID 135399549
2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one
CID 135484663
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
3-Methoxy-cyclohexanecarboxylic acid (2-cyclobutyl-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl)-amide
CID 653945
3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4(3H)-one
CID 777426
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
3-[(3,4-dimethoxybenzyl)amino]-2-(2-fluorophenyl)quinazolin-4(3H)-one
CID 16187954
3-[(2-Butyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzonitrile
CID 71682831
3-[[4-[(4-Fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-6,7-dimethoxyquinazolin-4-one
CID 118722448

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-fluorobenzamide?
The IUPAC name of N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-fluorobenzamide (CID 652489) is N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-fluorobenzamide?
The canonical SMILES for N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-fluorobenzamide is COc1cc2nc(C3CC3)n(NC(=O)c3ccc(F)cc3)c(=O)c2cc1OC.
What is the InChIKey of N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-fluorobenzamide?
The InChIKey is ZKHBECMTFMLSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c1-27-16-9-14-15(10-17(16)28-2)22-18(11-3-4-11)24(20(14)26)23-19(25)12-5-7-13(21)8-6-12/h5-11H,3-4H2,1-2H3,(H,23,25).
What are the key properties of N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-fluorobenzamide?
N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-fluorobenzamide has a molecular weight of 383.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-fluorobenzamide is sourced from PubChem (CID 652489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).