2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-difluorophenyl)acetamide

C21H20F2N4O2 — CID 50834576

IUPAC2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-difluorophenyl)acetamide
SMILESO=C(Cn1c(=O)nc(NC2CCCC2)c2ccccc21)Nc1cc(F)cc(F)c1
InChIInChI=1S/C21H20F2N4O2/c22-13-9-14(23)11-16(10-13)24-19(28)12-27-18-8-4-3-7-17(18)20(26-21(27)29)25-15-5-1-2-6-15/h3-4,7-11,15H,1-2,5-6,12H2,(H,24,28)(H,25,26,29)
InChIKeyMLQJZUYTAFKATK-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.67
Rot. Bonds5

About 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-difluorophenyl)acetamide

2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-difluorophenyl)acetamide (PubChem CID 50834576) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-difluorophenyl)acetamide
PubChem CID50834576
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC Name2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-difluorophenyl)acetamide
SMILESO=C(Cn1c(=O)nc(NC2CCCC2)c2ccccc21)Nc1cc(F)cc(F)c1
InChIInChI=1S/C21H20F2N4O2/c22-13-9-14(23)11-16(10-13)24-19(28)12-27-18-8-4-3-7-17(18)20(26-21(27)29)25-15-5-1-2-6-15/h3-4,7-11,15H,1-2,5-6,12H2,(H,24,28)(H,25,26,29)
InChIKeyMLQJZUYTAFKATK-UHFFFAOYSA-N
XLogP3.67
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea
CID 5279172
L 740093
CID 132980
(R)-1-(5-(3-Azabicyclo[3.2.2]nonan-3-yl)-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-(m-tolyl)urea
CID 10478703
RSV604 racemate
CID 5279171
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
(R)-N-(2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 11497403
(R)-4-(2-oxo-2,3-dihydroimidazol-1-yl)-N-(2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)piperidine-1-carboxamide
CID 11692206
2-anilino-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]acetamide
CID 14208209
4-(Benzylamino)-1,2-dihydroquinazolin-2-one
CID 25153233
p32 Inhibitor M36
CID 416381

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-difluorophenyl)acetamide?
The IUPAC name of 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-difluorophenyl)acetamide (CID 50834576) is 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-difluorophenyl)acetamide is O=C(Cn1c(=O)nc(NC2CCCC2)c2ccccc21)Nc1cc(F)cc(F)c1.
What is the InChIKey of 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-difluorophenyl)acetamide?
The InChIKey is MLQJZUYTAFKATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c22-13-9-14(23)11-16(10-13)24-19(28)12-27-18-8-4-3-7-17(18)20(26-21(27)29)25-15-5-1-2-6-15/h3-4,7-11,15H,1-2,5-6,12H2,(H,24,28)(H,25,26,29).
What are the key properties of 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-difluorophenyl)acetamide?
2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-difluorophenyl)acetamide has a molecular weight of 398.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 50834576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).