N-(3-chloro-2-methylphenyl)-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide

C22H23ClN4O2 — CID 56685655

IUPACN-(3-chloro-2-methylphenyl)-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1c(=O)nc(NC2CCCC2)c2ccccc21
InChIInChI=1S/C22H23ClN4O2/c1-14-17(23)10-6-11-18(14)25-20(28)13-27-19-12-5-4-9-16(19)21(26-22(27)29)24-15-7-2-3-8-15/h4-6,9-12,15H,2-3,7-8,13H2,1H3,(H,25,28)(H,24,26,29)
InChIKeyRDRUVTBBTLJSQD-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.35
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide

N-(3-chloro-2-methylphenyl)-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide (PubChem CID 56685655) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
PubChem CID56685655
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1c(=O)nc(NC2CCCC2)c2ccccc21
InChIInChI=1S/C22H23ClN4O2/c1-14-17(23)10-6-11-18(14)25-20(28)13-27-19-12-5-4-9-16(19)21(26-22(27)29)24-15-7-2-3-8-15/h4-6,9-12,15H,2-3,7-8,13H2,1H3,(H,25,28)(H,24,26,29)
InChIKeyRDRUVTBBTLJSQD-UHFFFAOYSA-N
XLogP4.35
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 50834543
2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 50834654
N-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721712
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
CID 56685654
N-(4-acetylphenyl)-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
CID 56685620
N-[(4-chlorophenyl)methyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
CID 56685619
N-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
CID 53129631
N-(2-chlorophenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721690
N-(3-chloro-2-methylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195248
N-(3-chloro-2-methylphenyl)-2-(3-methylindazol-1-yl)acetamide
CID 22509830
N-(3-chloro-2-methylphenyl)-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46860994
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108794883

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide (CID 56685655) is N-(3-chloro-2-methylphenyl)-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide is Cc1c(Cl)cccc1NC(=O)Cn1c(=O)nc(NC2CCCC2)c2ccccc21.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide?
The InChIKey is RDRUVTBBTLJSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-14-17(23)10-6-11-18(14)25-20(28)13-27-19-12-5-4-9-16(19)21(26-22(27)29)24-15-7-2-3-8-15/h4-6,9-12,15H,2-3,7-8,13H2,1H3,(H,25,28)(H,24,26,29).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide has a molecular weight of 410.91 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 56685655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).