2-cyclopentyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide

C21H21N3O2 — CID 167818077

IUPAC2-cyclopentyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
SMILESO=C(CC1CCCC1)Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C21H21N3O2/c25-19(13-14-5-1-2-6-14)22-16-11-9-15(10-12-16)20-23-18-8-4-3-7-17(18)21(26)24-20/h3-4,7-12,14H,1-2,5-6,13H2,(H,22,25)(H,23,24,26)
InChIKeyXWQQQWXLPMDNQZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.11
Rot. Bonds4

About 2-cyclopentyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide

2-cyclopentyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide (PubChem CID 167818077) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
PubChem CID167818077
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-cyclopentyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
SMILESO=C(CC1CCCC1)Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C21H21N3O2/c25-19(13-14-5-1-2-6-14)22-16-11-9-15(10-12-16)20-23-18-8-4-3-7-17(18)21(26)24-20/h3-4,7-12,14H,1-2,5-6,13H2,(H,22,25)(H,23,24,26)
InChIKeyXWQQQWXLPMDNQZ-UHFFFAOYSA-N
XLogP4.11
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide (CID 167818077) is 2-cyclopentyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide is O=C(CC1CCCC1)Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of 2-cyclopentyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide?
The InChIKey is XWQQQWXLPMDNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-19(13-14-5-1-2-6-14)22-16-11-9-15(10-12-16)20-23-18-8-4-3-7-17(18)21(26)24-20/h3-4,7-12,14H,1-2,5-6,13H2,(H,22,25)(H,23,24,26).
What are the key properties of 2-cyclopentyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide?
2-cyclopentyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide is sourced from PubChem (CID 167818077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).