1-[4-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-3-methylbutan-2-one

C23H24Cl2N4O — CID 90727834

IUPAC1-[4-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-3-methylbutan-2-one
SMILESCC(C)C(=O)CN1CCN(c2nc(-c3ccccc3Cl)nc3cccc(Cl)c23)CC1
InChIInChI=1S/C23H24Cl2N4O/c1-15(2)20(30)14-28-10-12-29(13-11-28)23-21-18(25)8-5-9-19(21)26-22(27-23)16-6-3-4-7-17(16)24/h3-9,15H,10-14H2,1-2H3
InChIKeySLCWFAPXZFRYMZ-UHFFFAOYSA-N
MW443.38 g/mol
LogP4.95
Rot. Bonds5

About 1-[4-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-3-methylbutan-2-one

1-[4-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-3-methylbutan-2-one (PubChem CID 90727834) has the molecular formula C23H24Cl2N4O and a molecular weight of 443.38 g/mol. Its IUPAC name is 1-[4-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[4-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-3-methylbutan-2-one
PubChem CID90727834
Molecular FormulaC23H24Cl2N4O
Molecular Weight443.38 g/mol
Exact Mass442.13
IUPAC Name1-[4-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-3-methylbutan-2-one
SMILESCC(C)C(=O)CN1CCN(c2nc(-c3ccccc3Cl)nc3cccc(Cl)c23)CC1
InChIInChI=1S/C23H24Cl2N4O/c1-15(2)20(30)14-28-10-12-29(13-11-28)23-21-18(25)8-5-9-19(21)26-22(27-23)16-6-3-4-7-17(16)24/h3-9,15H,10-14H2,1-2H3
InChIKeySLCWFAPXZFRYMZ-UHFFFAOYSA-N
XLogP4.95
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.38
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(5-chloro-2-ethylquinazolin-4-yl)piperazin-1-yl]ethanone
CID 138600724
2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline
CID 914453
4-[3-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]propyl]piperazine-1-carboxamide
CID 90709421
2-(2-chlorophenyl)-4-(4-ethoxycarbonylpiperazin-1-yl)quinazoline-7-carboxylic acid
CID 25130746
methyl 4-(4-acetylpiperazin-1-yl)-2-(2-chlorophenyl)quinazoline-7-carboxylate
CID 25130415
2-[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 24507460
ethyl 4-[2-(2-chlorophenyl)-7-(1-methoxyethenyl)quinazolin-4-yl]piperazine-1-carboxylate
CID 89219457
4-[[2-(2-chlorophenyl)quinazolin-4-yl]methyl]piperazine-1-carboxamide
CID 91553260
2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine
CID 727473
N-[1-(2-chlorophenyl)ethyl]-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 46672783
(3R)-3-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]butan-1-one;molecular hydrogen
CID 159133211
N-[1-(2-chlorophenyl)ethyl]-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]acetamide
CID 60537959

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-3-methylbutan-2-one?
The IUPAC name of 1-[4-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-3-methylbutan-2-one (CID 90727834) is 1-[4-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-3-methylbutan-2-one.
What is the SMILES notation for 1-[4-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-3-methylbutan-2-one?
The canonical SMILES for 1-[4-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-3-methylbutan-2-one is CC(C)C(=O)CN1CCN(c2nc(-c3ccccc3Cl)nc3cccc(Cl)c23)CC1.
What is the InChIKey of 1-[4-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-3-methylbutan-2-one?
The InChIKey is SLCWFAPXZFRYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O/c1-15(2)20(30)14-28-10-12-29(13-11-28)23-21-18(25)8-5-9-19(21)26-22(27-23)16-6-3-4-7-17(16)24/h3-9,15H,10-14H2,1-2H3.
What are the key properties of 1-[4-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-3-methylbutan-2-one?
1-[4-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-3-methylbutan-2-one has a molecular weight of 443.38 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-3-methylbutan-2-one is sourced from PubChem (CID 90727834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).