2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]-3H-quinazolin-4-one

C20H21N5O2 — CID 137271068

IUPAC2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]-3H-quinazolin-4-one
SMILESO=C(CNc1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H21N5O2/c26-18(25-12-10-24(11-13-25)15-6-2-1-3-7-15)14-21-20-22-17-9-5-4-8-16(17)19(27)23-20/h1-9H,10-14H2,(H2,21,22,23,27)
InChIKeyARDQUHOIASYVPO-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.68
Rot. Bonds4

About 2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]-3H-quinazolin-4-one

2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]-3H-quinazolin-4-one (PubChem CID 137271068) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]-3H-quinazolin-4-one
PubChem CID137271068
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]-3H-quinazolin-4-one
SMILESO=C(CNc1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H21N5O2/c26-18(25-12-10-24(11-13-25)15-6-2-1-3-7-15)14-21-20-22-17-9-5-4-8-16(17)19(27)23-20/h1-9H,10-14H2,(H2,21,22,23,27)
InChIKeyARDQUHOIASYVPO-UHFFFAOYSA-N
XLogP1.68
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one
CID 137264057
N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
CID 137264056
2-(4-phenylpiperazine-1-carbonyl)-3H-quinazolin-4-one;2,2,2-trifluoroacetic acid
CID 154890246
2-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 135739653
2-(2,3-dichloroanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002179
4-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]benzonitrile
CID 178142640
2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002134
2-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 136779605
2-[(1-propanoylpyrrolidin-3-yl)amino]-3H-quinazolin-4-one
CID 137270751
2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002140
tert-butyl 4-[2-[(4-oxo-3H-quinazolin-2-yl)amino]-4-pyridinyl]piperazine-1-carboxylate
CID 171795691
2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135952975

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]-3H-quinazolin-4-one?
The IUPAC name of 2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]-3H-quinazolin-4-one (CID 137271068) is 2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]-3H-quinazolin-4-one is O=C(CNc1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]-3H-quinazolin-4-one?
The InChIKey is ARDQUHOIASYVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-18(25-12-10-24(11-13-25)15-6-2-1-3-7-15)14-21-20-22-17-9-5-4-8-16(17)19(27)23-20/h1-9H,10-14H2,(H2,21,22,23,27).
What are the key properties of 2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]-3H-quinazolin-4-one?
2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]-3H-quinazolin-4-one has a molecular weight of 363.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]-3H-quinazolin-4-one is sourced from PubChem (CID 137271068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).