N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide

C20H18FN3O2 — CID 1456528

IUPACN-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide
SMILESCc1nc2ccc(NC(=O)C3CC3)cc2c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C20H18FN3O2/c1-12-22-18-9-8-16(23-19(25)14-4-5-14)10-17(18)20(26)24(12)11-13-2-6-15(21)7-3-13/h2-3,6-10,14H,4-5,11H2,1H3,(H,23,25)
InChIKeyOGZDBGHTWYGLHT-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.24
Rot. Bonds4

About N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide

N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide (PubChem CID 1456528) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide
PubChem CID1456528
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide
SMILESCc1nc2ccc(NC(=O)C3CC3)cc2c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C20H18FN3O2/c1-12-22-18-9-8-16(23-19(25)14-4-5-14)10-17(18)20(26)24(12)11-13-2-6-15(21)7-3-13/h2-3,6-10,14H,4-5,11H2,1H3,(H,23,25)
InChIKeyOGZDBGHTWYGLHT-UHFFFAOYSA-N
XLogP3.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide
CID 1456531
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide
CID 43813136
N-[2-cyclopropyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]cyclopropanecarboxamide
CID 1456638
N-[3-[[4-(2-methoxyphenyl)phenyl]methyl]-2-methyl-4-oxoquinazolin-6-yl]-2,2-dimethylpropanamide
CID 1434244
1-[3-[(3-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-3-phenylurea
CID 1174061
N-[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]furan-2-carboxamide
CID 1174102
(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methylquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 6976213
4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide
CID 142751614
2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(4-fluorophenyl)acetamide
CID 1166520
2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-(1H-indol-6-yl)acetamide
CID 71708222
N-[3-[(4-cyanophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]thiophene-2-carboxamide
CID 1456631
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide (CID 1456528) is N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide is Cc1nc2ccc(NC(=O)C3CC3)cc2c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide?
The InChIKey is OGZDBGHTWYGLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-12-22-18-9-8-16(23-19(25)14-4-5-14)10-17(18)20(26)24(12)11-13-2-6-15(21)7-3-13/h2-3,6-10,14H,4-5,11H2,1H3,(H,23,25).
What are the key properties of N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide?
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide has a molecular weight of 351.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 1456528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).