N-(4-oxo-2-phenylquinazolin-3-yl)-2-piperazin-1-ylacetamide

C20H21N5O2 — CID 122208556

IUPACN-(4-oxo-2-phenylquinazolin-3-yl)-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)Nn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C20H21N5O2/c26-18(14-24-12-10-21-11-13-24)23-25-19(15-6-2-1-3-7-15)22-17-9-5-4-8-16(17)20(25)27/h1-9,21H,10-14H2,(H,23,26)
InChIKeyFTXGWCQMXAXJOK-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.04
Rot. Bonds4

About N-(4-oxo-2-phenylquinazolin-3-yl)-2-piperazin-1-ylacetamide

N-(4-oxo-2-phenylquinazolin-3-yl)-2-piperazin-1-ylacetamide (PubChem CID 122208556) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(4-oxo-2-phenylquinazolin-3-yl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-oxo-2-phenylquinazolin-3-yl)-2-piperazin-1-ylacetamide
PubChem CID122208556
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-(4-oxo-2-phenylquinazolin-3-yl)-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)Nn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C20H21N5O2/c26-18(14-24-12-10-21-11-13-24)23-25-19(15-6-2-1-3-7-15)22-17-9-5-4-8-16(17)20(25)27/h1-9,21H,10-14H2,(H,23,26)
InChIKeyFTXGWCQMXAXJOK-UHFFFAOYSA-N
XLogP1.04
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide
CID 24750157
N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 23995928
N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23932693
N-(phenanthridin-6-ylmethyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide
CID 90006117
2-(2-butoxyethoxy)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide
CID 11741395
bis(3-(4-oxo-2-phenylquinazolin-3-yl)propanoic acid);piperazine
CID 3053641
2-(1,4-diazepan-1-yl)-N-(2,5-dimethylpyrrol-1-yl)acetamide
CID 79100773
2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid
CID 23497641
2-chloro-N-[(4-oxo-2-phenylquinazolin-3-yl)carbamothioyl]benzamide
CID 1213092
N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 170732468
3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one
CID 3389245
N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-methylbenzamide
CID 23877246

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2-phenylquinazolin-3-yl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(4-oxo-2-phenylquinazolin-3-yl)-2-piperazin-1-ylacetamide (CID 122208556) is N-(4-oxo-2-phenylquinazolin-3-yl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(4-oxo-2-phenylquinazolin-3-yl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(4-oxo-2-phenylquinazolin-3-yl)-2-piperazin-1-ylacetamide is O=C(CN1CCNCC1)Nn1c(-c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of N-(4-oxo-2-phenylquinazolin-3-yl)-2-piperazin-1-ylacetamide?
The InChIKey is FTXGWCQMXAXJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-18(14-24-12-10-21-11-13-24)23-25-19(15-6-2-1-3-7-15)22-17-9-5-4-8-16(17)20(25)27/h1-9,21H,10-14H2,(H,23,26).
What are the key properties of N-(4-oxo-2-phenylquinazolin-3-yl)-2-piperazin-1-ylacetamide?
N-(4-oxo-2-phenylquinazolin-3-yl)-2-piperazin-1-ylacetamide has a molecular weight of 363.42 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2-phenylquinazolin-3-yl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 122208556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).