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

C24H20FN3O3 — CID 43813136

IUPACN-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nc(C)n(Cc4ccc(F)cc4)c(=O)c3c2)cc1
InChIInChI=1S/C24H20FN3O3/c1-15-26-22-12-9-19(27-23(29)17-5-10-20(31-2)11-6-17)13-21(22)24(30)28(15)14-16-3-7-18(25)8-4-16/h3-13H,14H2,1-2H3,(H,27,29)
InChIKeyPFPMALLYTLYLCL-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.15
Rot. Bonds5

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

N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide (PubChem CID 43813136) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide
PubChem CID43813136
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC NameN-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nc(C)n(Cc4ccc(F)cc4)c(=O)c3c2)cc1
InChIInChI=1S/C24H20FN3O3/c1-15-26-22-12-9-19(27-23(29)17-5-10-20(31-2)11-6-17)13-21(22)24(30)28(15)14-16-3-7-18(25)8-4-16/h3-13H,14H2,1-2H3,(H,27,29)
InChIKeyPFPMALLYTLYLCL-UHFFFAOYSA-N
XLogP4.15
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide
CID 1456531
N-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2-methyl-4-oxoquinazolin-6-yl]-2,2-dimethylpropanamide
CID 1434216
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide
CID 1456528
4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide
CID 142751614
N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide
CID 1456557
N-[3-[[4-(2-methoxyphenyl)phenyl]methyl]-2-methyl-4-oxoquinazolin-6-yl]-2,2-dimethylpropanamide
CID 1434244
N-[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]furan-2-carboxamide
CID 1174102
N-(3-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 3542921
N-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
CID 10159021
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide
CID 50793209
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 1363610
6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one
CID 43812768

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide?
The IUPAC name of N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide (CID 43813136) is N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc3nc(C)n(Cc4ccc(F)cc4)c(=O)c3c2)cc1.
What is the InChIKey of N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide?
The InChIKey is PFPMALLYTLYLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-15-26-22-12-9-19(27-23(29)17-5-10-20(31-2)11-6-17)13-21(22)24(30)28(15)14-16-3-7-18(25)8-4-16/h3-13H,14H2,1-2H3,(H,27,29).
What are the key properties of N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide?
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide has a molecular weight of 417.44 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide is sourced from PubChem (CID 43813136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).