2-(5-oxo-2-phenylcyclopenten-1-yl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide

C23H21N3O3 — CID 137242270

IUPAC2-(5-oxo-2-phenylcyclopenten-1-yl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide
SMILESO=C(CC1=C(c2ccccc2)CCC1=O)NCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H21N3O3/c27-20-11-10-16(15-6-2-1-3-7-15)18(20)14-22(28)24-13-12-21-25-19-9-5-4-8-17(19)23(29)26-21/h1-9H,10-14H2,(H,24,28)(H,25,26,29)
InChIKeyBFDDIYNCOXSNHH-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.79
Rot. Bonds6

About 2-(5-oxo-2-phenylcyclopenten-1-yl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide

2-(5-oxo-2-phenylcyclopenten-1-yl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide (PubChem CID 137242270) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(5-oxo-2-phenylcyclopenten-1-yl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-oxo-2-phenylcyclopenten-1-yl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide
PubChem CID137242270
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name2-(5-oxo-2-phenylcyclopenten-1-yl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide
SMILESO=C(CC1=C(c2ccccc2)CCC1=O)NCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H21N3O3/c27-20-11-10-16(15-6-2-1-3-7-15)18(20)14-22(28)24-13-12-21-25-19-9-5-4-8-17(19)23(29)26-21/h1-9H,10-14H2,(H,24,28)(H,25,26,29)
InChIKeyBFDDIYNCOXSNHH-UHFFFAOYSA-N
XLogP2.79
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide
CID 136767866
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 136811645
4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767880
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide
CID 137210262
3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767873
2-(3-fluorophenoxy)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide
CID 136767922
(1S,3R,4R)-3-amino-4-hydroxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexane-1-carboxamide
CID 155504407
N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride
CID 137098154
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831616
7-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 136662226
2-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-pyrazol-1-ylpropanamide
CID 137196556

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-2-phenylcyclopenten-1-yl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(5-oxo-2-phenylcyclopenten-1-yl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide (CID 137242270) is 2-(5-oxo-2-phenylcyclopenten-1-yl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5-oxo-2-phenylcyclopenten-1-yl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(5-oxo-2-phenylcyclopenten-1-yl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide is O=C(CC1=C(c2ccccc2)CCC1=O)NCCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-(5-oxo-2-phenylcyclopenten-1-yl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide?
The InChIKey is BFDDIYNCOXSNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-20-11-10-16(15-6-2-1-3-7-15)18(20)14-22(28)24-13-12-21-25-19-9-5-4-8-17(19)23(29)26-21/h1-9H,10-14H2,(H,24,28)(H,25,26,29).
What are the key properties of 2-(5-oxo-2-phenylcyclopenten-1-yl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide?
2-(5-oxo-2-phenylcyclopenten-1-yl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide has a molecular weight of 387.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-2-phenylcyclopenten-1-yl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide is sourced from PubChem (CID 137242270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).