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

C23H26N4O3 — CID 50834543

IUPAC2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1c(=O)nc(NC2CCCC2)c2ccccc21
InChIInChI=1S/C23H26N4O3/c1-2-30-20-14-8-6-12-18(20)25-21(28)15-27-19-13-7-5-11-17(19)22(26-23(27)29)24-16-9-3-4-10-16/h5-8,11-14,16H,2-4,9-10,15H2,1H3,(H,25,28)(H,24,26,29)
InChIKeyJPGCNXQDEIZNOC-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.79
Rot. Bonds7

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

2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 50834543) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(2-ethoxyphenyl)acetamide
PubChem CID50834543
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1c(=O)nc(NC2CCCC2)c2ccccc21
InChIInChI=1S/C23H26N4O3/c1-2-30-20-14-8-6-12-18(20)25-21(28)15-27-19-13-7-5-11-17(19)22(26-23(27)29)24-16-9-3-4-10-16/h5-8,11-14,16H,2-4,9-10,15H2,1H3,(H,25,28)(H,24,26,29)
InChIKeyJPGCNXQDEIZNOC-UHFFFAOYSA-N
XLogP3.79
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
CID 56685654
N-cyclopropyl-3-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 46391445
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 7988603
2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2-ethoxyphenyl)acetamide
CID 45106325
N-(2-cyclopentyloxyphenyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 55807750
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 55864159
N-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
CID 53129631
(3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305506
(2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-ethoxyphenyl)propanamide
CID 87040089

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(2-ethoxyphenyl)acetamide (CID 50834543) is 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)Cn1c(=O)nc(NC2CCCC2)c2ccccc21.
What is the InChIKey of 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is JPGCNXQDEIZNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-2-30-20-14-8-6-12-18(20)25-21(28)15-27-19-13-7-5-11-17(19)22(26-23(27)29)24-16-9-3-4-10-16/h5-8,11-14,16H,2-4,9-10,15H2,1H3,(H,25,28)(H,24,26,29).
What are the key properties of 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(2-ethoxyphenyl)acetamide?
2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 406.49 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 50834543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).