N-(2-fluoro-4-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide

C22H23FN4O2 — CID 50834548

IUPACN-(2-fluoro-4-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)nc(N3CCCCC3)c3ccccc32)c(F)c1
InChIInChI=1S/C22H23FN4O2/c1-15-9-10-18(17(23)13-15)24-20(28)14-27-19-8-4-3-7-16(19)21(25-22(27)29)26-11-5-2-6-12-26/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,24,28)
InChIKeyGGMPGGNKDCODHR-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.47
Rot. Bonds4

About N-(2-fluoro-4-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide

N-(2-fluoro-4-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide (PubChem CID 50834548) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide
PubChem CID50834548
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)nc(N3CCCCC3)c3ccccc32)c(F)c1
InChIInChI=1S/C22H23FN4O2/c1-15-9-10-18(17(23)13-15)24-20(28)14-27-19-8-4-3-7-16(19)21(25-22(27)29)26-11-5-2-6-12-26/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,24,28)
InChIKeyGGMPGGNKDCODHR-UHFFFAOYSA-N
XLogP3.47
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-{[4-(Cyclohexylamino)-1-(3-Fluorophenyl)-2-Oxo-1,3,8-Triazaspiro[4.5]dec-3-En-8-Yl]methyl}phenyl)acetamide
CID 135875806
1-(3-Fluoro-phenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-urea
CID 10046672
1-(4-Fluoro-phenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-urea
CID 10341040
1-(5-Azepan-1-yl-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea
CID 10364786
Ethyl 4''-amino-5''-fluorospiro[hexahydropyridine-4,2''-(1'',2''-dihydroquinazoline)]-1-carboxylate
CID 11034111
2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-((S)-1-phenyl-ethyl)-acetamide
CID 11416498
1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-(4-trifluoromethyl-phenyl)-urea
CID 44356799
6-fluoro-2-[4-(4-methylpiperazin-1-yl)phenyl]-3H-quinazolin-4-one
CID 136236980
4-methyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)piperazine-1-carboxamide
CID 10362234
1-[4-(1,4,5,6-Tetrahydropyrimidin-2-yl)phenyl]-3-[6-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]hexyl]urea
CID 416185
4-{[(4-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexyl)methyl]amino}quinazoline-2(1H)-thione
CID 3362033
2-[(2,4-dimethylphenyl)amino]-4-(4-fluorophenyl)-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
CID 4890321

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide (CID 50834548) is N-(2-fluoro-4-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide is Cc1ccc(NC(=O)Cn2c(=O)nc(N3CCCCC3)c3ccccc32)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide?
The InChIKey is GGMPGGNKDCODHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-15-9-10-18(17(23)13-15)24-20(28)14-27-19-8-4-3-7-16(19)21(25-22(27)29)26-11-5-2-6-12-26/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,24,28).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide?
N-(2-fluoro-4-methylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide has a molecular weight of 394.45 g/mol, XLogP of 3.47, 4 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-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide is sourced from PubChem (CID 50834548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).