N-[(4-chlorophenyl)methyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide

C22H23ClN4O2 — CID 56685619

IUPACN-[(4-chlorophenyl)methyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
SMILESO=C(Cn1c(=O)nc(NC2CCCC2)c2ccccc21)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O2/c23-16-11-9-15(10-12-16)13-24-20(28)14-27-19-8-4-3-7-18(19)21(26-22(27)29)25-17-5-1-2-6-17/h3-4,7-12,17H,1-2,5-6,13-14H2,(H,24,28)(H,25,26,29)
InChIKeyXNLZBNAYKIYOBR-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.72
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide

N-[(4-chlorophenyl)methyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide (PubChem CID 56685619) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
PubChem CID56685619
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
SMILESO=C(Cn1c(=O)nc(NC2CCCC2)c2ccccc21)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O2/c23-16-11-9-15(10-12-16)13-24-20(28)14-27-19-8-4-3-7-18(19)21(26-22(27)29)25-17-5-1-2-6-17/h3-4,7-12,17H,1-2,5-6,13-14H2,(H,24,28)(H,25,26,29)
InChIKeyXNLZBNAYKIYOBR-UHFFFAOYSA-N
XLogP3.72
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
CID 56685654
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
N-(4-acetylphenyl)-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
CID 56685620
2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 50834543
N-[(4-chlorophenyl)methyl]-2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 53159382
N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(cyclohexylamino)-2-oxo-6-phenylpyrazin-1-yl]acetamide
CID 10896304
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502441
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295466
N-[(4-methylphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
CID 53129653
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3346299
N-[(4-carbamimidoylphenyl)methyl]-2-[3-chloro-5-(cyclobutylamino)-2-(2-hydroxyphenyl)-6-oxopyrazin-1-yl]acetamide
CID 10939772

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide (CID 56685619) is N-[(4-chlorophenyl)methyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide is O=C(Cn1c(=O)nc(NC2CCCC2)c2ccccc21)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide?
The InChIKey is XNLZBNAYKIYOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c23-16-11-9-15(10-12-16)13-24-20(28)14-27-19-8-4-3-7-18(19)21(26-22(27)29)25-17-5-1-2-6-17/h3-4,7-12,17H,1-2,5-6,13-14H2,(H,24,28)(H,25,26,29).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide has a molecular weight of 410.91 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 56685619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).