N-(2-fluoro-4-methylphenyl)-2-[4-(N-methylanilino)-2-oxoquinazolin-1-yl]acetamide

C24H21FN4O2 — CID 50834598

IUPACN-(2-fluoro-4-methylphenyl)-2-[4-(N-methylanilino)-2-oxoquinazolin-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)nc(N(C)c3ccccc3)c3ccccc32)c(F)c1
InChIInChI=1S/C24H21FN4O2/c1-16-12-13-20(19(25)14-16)26-22(30)15-29-21-11-7-6-10-18(21)23(27-24(29)31)28(2)17-8-4-3-5-9-17/h3-14H,15H2,1-2H3,(H,26,30)
InChIKeyJIIOZECASBSOEK-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.25
Rot. Bonds5

About N-(2-fluoro-4-methylphenyl)-2-[4-(N-methylanilino)-2-oxoquinazolin-1-yl]acetamide

N-(2-fluoro-4-methylphenyl)-2-[4-(N-methylanilino)-2-oxoquinazolin-1-yl]acetamide (PubChem CID 50834598) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-[4-(N-methylanilino)-2-oxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-[4-(N-methylanilino)-2-oxoquinazolin-1-yl]acetamide
PubChem CID50834598
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-[4-(N-methylanilino)-2-oxoquinazolin-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)nc(N(C)c3ccccc3)c3ccccc32)c(F)c1
InChIInChI=1S/C24H21FN4O2/c1-16-12-13-20(19(25)14-16)26-22(30)15-29-21-11-7-6-10-18(21)23(27-24(29)31)28(2)17-8-4-3-5-9-17/h3-14H,15H2,1-2H3,(H,26,30)
InChIKeyJIIOZECASBSOEK-UHFFFAOYSA-N
XLogP4.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46346696
6-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylic acid
CID 70026598
N-(2-chloro-4-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46506830
2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 56685527
N-(2-fluoro-4-methylphenyl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369651
N-(4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721687
N-(2-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 4639629
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 52906420
2-[benzyl(methyl)amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 8901380
N-(2-fluoro-4-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9455084
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide
CID 16542453
2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
CID 46857122

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[4-(N-methylanilino)-2-oxoquinazolin-1-yl]acetamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[4-(N-methylanilino)-2-oxoquinazolin-1-yl]acetamide (CID 50834598) is N-(2-fluoro-4-methylphenyl)-2-[4-(N-methylanilino)-2-oxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-[4-(N-methylanilino)-2-oxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-[4-(N-methylanilino)-2-oxoquinazolin-1-yl]acetamide is Cc1ccc(NC(=O)Cn2c(=O)nc(N(C)c3ccccc3)c3ccccc32)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-[4-(N-methylanilino)-2-oxoquinazolin-1-yl]acetamide?
The InChIKey is JIIOZECASBSOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-16-12-13-20(19(25)14-16)26-22(30)15-29-21-11-7-6-10-18(21)23(27-24(29)31)28(2)17-8-4-3-5-9-17/h3-14H,15H2,1-2H3,(H,26,30).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-[4-(N-methylanilino)-2-oxoquinazolin-1-yl]acetamide?
N-(2-fluoro-4-methylphenyl)-2-[4-(N-methylanilino)-2-oxoquinazolin-1-yl]acetamide has a molecular weight of 416.46 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-[4-(N-methylanilino)-2-oxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 50834598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).