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

C23H26N4O2 — CID 50834654

IUPAC2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2c(=O)nc(NC3CCCC3)c3ccccc32)c1
InChIInChI=1S/C23H26N4O2/c1-15-11-16(2)13-18(12-15)24-21(28)14-27-20-10-6-5-9-19(20)22(26-23(27)29)25-17-7-3-4-8-17/h5-6,9-13,17H,3-4,7-8,14H2,1-2H3,(H,24,28)(H,25,26,29)
InChIKeyUOCJLPHYMOLTOS-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.01
Rot. Bonds5

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

2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-dimethylphenyl)acetamide (PubChem CID 50834654) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-dimethylphenyl)acetamide
PubChem CID50834654
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2c(=O)nc(NC3CCCC3)c3ccccc32)c1
InChIInChI=1S/C23H26N4O2/c1-15-11-16(2)13-18(12-15)24-21(28)14-27-20-10-6-5-9-19(20)22(26-23(27)29)25-17-7-3-4-8-17/h5-6,9-13,17H,3-4,7-8,14H2,1-2H3,(H,24,28)(H,25,26,29)
InChIKeyUOCJLPHYMOLTOS-UHFFFAOYSA-N
XLogP4.01
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
CID 56685620
N-(3-chloro-2-methylphenyl)-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
CID 56685655
2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 50834543
N-[(4-chlorophenyl)methyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
CID 56685619
N-(3,5-dimethylphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
CID 92896918
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
CID 56685654
2-[4-[(4-methylphenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 56685539
N-(4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721687
N-(3,4-dimethylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide
CID 50834634
N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028988
N-(3-fluoro-4-methylphenyl)-2-[4-(3-methylbutylamino)-2-oxoquinazolin-1-yl]acetamide
CID 56685587
N-(4-bromophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
CID 50834483

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-dimethylphenyl)acetamide (CID 50834654) is 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)Cn2c(=O)nc(NC3CCCC3)c3ccccc32)c1.
What is the InChIKey of 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is UOCJLPHYMOLTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15-11-16(2)13-18(12-15)24-21(28)14-27-20-10-6-5-9-19(20)22(26-23(27)29)25-17-7-3-4-8-17/h5-6,9-13,17H,3-4,7-8,14H2,1-2H3,(H,24,28)(H,25,26,29).
What are the key properties of 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-dimethylphenyl)acetamide?
2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 390.49 g/mol, XLogP of 4.01, 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-dimethylphenyl)acetamide is sourced from PubChem (CID 50834654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).