N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide

C22H20ClF3N4O2 — CID 56685654

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
SMILESO=C(Cn1c(=O)nc(NC2CCCC2)c2ccccc21)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C22H20ClF3N4O2/c23-13-9-10-17(16(11-13)22(24,25)26)28-19(31)12-30-18-8-4-3-7-15(18)20(29-21(30)32)27-14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6,12H2,(H,28,31)(H,27,29,32)
InChIKeyJXYGZHQBNCMTJC-UHFFFAOYSA-N
MW464.88 g/mol
LogP5.06
Rot. Bonds5

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide (PubChem CID 56685654) has the molecular formula C22H20ClF3N4O2 and a molecular weight of 464.88 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
PubChem CID56685654
Molecular FormulaC22H20ClF3N4O2
Molecular Weight464.88 g/mol
Exact Mass464.12
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
SMILESO=C(Cn1c(=O)nc(NC2CCCC2)c2ccccc21)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C22H20ClF3N4O2/c23-13-9-10-17(16(11-13)22(24,25)26)28-19(31)12-30-18-8-4-3-7-15(18)20(29-21(30)32)27-14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6,12H2,(H,28,31)(H,27,29,32)
InChIKeyJXYGZHQBNCMTJC-UHFFFAOYSA-N
XLogP5.06
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.88
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
CID 56685619
N-(3-chloro-2-methylphenyl)-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
CID 56685655
2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 50834654
2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 50834543
N-(4-acetylphenyl)-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
CID 56685620
2-[4-(1,3-benzodioxol-5-ylmethylamino)-2-oxoquinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 56685629
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrazol-1-ylacetamide
CID 110690000
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508170
(2S,3aS,7aS)-1-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 100854144
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250623
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274240
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 70850909

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide (CID 56685654) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide is O=C(Cn1c(=O)nc(NC2CCCC2)c2ccccc21)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide?
The InChIKey is JXYGZHQBNCMTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N4O2/c23-13-9-10-17(16(11-13)22(24,25)26)28-19(31)12-30-18-8-4-3-7-15(18)20(29-21(30)32)27-14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6,12H2,(H,28,31)(H,27,29,32).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide has a molecular weight of 464.88 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 56685654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).