2-[4-[(4-fluorophenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide

C24H21FN4O3 — CID 56685548

IUPAC2-[4-[(4-fluorophenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)nc(NCc3ccc(F)cc3)c3ccccc32)cc1
InChIInChI=1S/C24H21FN4O3/c1-32-19-12-10-18(11-13-19)27-22(30)15-29-21-5-3-2-4-20(21)23(28-24(29)31)26-14-16-6-8-17(25)9-7-16/h2-13H,14-15H2,1H3,(H,27,30)(H,26,28,31)
InChIKeyYRMVSYUSNZUZEL-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.80
Rot. Bonds7

About 2-[4-[(4-fluorophenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide

2-[4-[(4-fluorophenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 56685548) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID56685548
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name2-[4-[(4-fluorophenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)nc(NCc3ccc(F)cc3)c3ccccc32)cc1
InChIInChI=1S/C24H21FN4O3/c1-32-19-12-10-18(11-13-19)27-22(30)15-29-21-5-3-2-4-20(21)23(28-24(29)31)26-14-16-6-8-17(25)9-7-16/h2-13H,14-15H2,1H3,(H,27,30)(H,26,28,31)
InChIKeyYRMVSYUSNZUZEL-UHFFFAOYSA-N
XLogP3.80
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(4-methylphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 56685539
2-[4-[(3,4-dimethoxyphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 56685652
2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 56685509
2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 56685527
N-(4-fluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032599
2-[4-(1,3-benzodioxol-5-ylmethylamino)-2-oxoquinazolin-1-yl]-N-(3-fluorophenyl)acetamide
CID 56685641
N-(4-methoxyphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502403
N-(3-fluoro-4-methylphenyl)-2-[4-(3-methylbutylamino)-2-oxoquinazolin-1-yl]acetamide
CID 56685587
1-(4-fluorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]-2-oxoquinazolin-4-yl]urea
CID 18585063
N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222928
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222927
N-(4-methoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195258

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 56685548) is 2-[4-[(4-fluorophenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2c(=O)nc(NCc3ccc(F)cc3)c3ccccc32)cc1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is YRMVSYUSNZUZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-32-19-12-10-18(11-13-19)27-22(30)15-29-21-5-3-2-4-20(21)23(28-24(29)31)26-14-16-6-8-17(25)9-7-16/h2-13H,14-15H2,1H3,(H,27,30)(H,26,28,31).
What are the key properties of 2-[4-[(4-fluorophenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[4-[(4-fluorophenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 432.46 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 56685548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).