3-(4-chlorophenyl)-1-[4-(2-chloroquinazolin-4-yl)piperazin-1-yl]propan-1-one

C21H20Cl2N4O — CID 90988226

IUPAC3-(4-chlorophenyl)-1-[4-(2-chloroquinazolin-4-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(Cl)cc1)N1CCN(c2nc(Cl)nc3ccccc23)CC1
InChIInChI=1S/C21H20Cl2N4O/c22-16-8-5-15(6-9-16)7-10-19(28)26-11-13-27(14-12-26)20-17-3-1-2-4-18(17)24-21(23)25-20/h1-6,8-9H,7,10-14H2
InChIKeyVCZWJXKGHFZAEP-UHFFFAOYSA-N
MW415.32 g/mol
LogP4.22
Rot. Bonds4

About 3-(4-chlorophenyl)-1-[4-(2-chloroquinazolin-4-yl)piperazin-1-yl]propan-1-one

3-(4-chlorophenyl)-1-[4-(2-chloroquinazolin-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 90988226) has the molecular formula C21H20Cl2N4O and a molecular weight of 415.32 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[4-(2-chloroquinazolin-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[4-(2-chloroquinazolin-4-yl)piperazin-1-yl]propan-1-one
PubChem CID90988226
Molecular FormulaC21H20Cl2N4O
Molecular Weight415.32 g/mol
Exact Mass414.10
IUPAC Name3-(4-chlorophenyl)-1-[4-(2-chloroquinazolin-4-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(Cl)cc1)N1CCN(c2nc(Cl)nc3ccccc23)CC1
InChIInChI=1S/C21H20Cl2N4O/c22-16-8-5-15(6-9-16)7-10-19(28)26-11-13-27(14-12-26)20-17-3-1-2-4-18(17)24-21(23)25-20/h1-6,8-9H,7,10-14H2
InChIKeyVCZWJXKGHFZAEP-UHFFFAOYSA-N
XLogP4.22
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
1-[4-[2-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 24720194
1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 45341294
tert-butyl 4-[3-(4-chlorophenyl)propanoyl]piperazine-1-carboxylate
CID 127118642
4-chloro-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 108569833
1-benzyl-3-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]quinoxalin-2-one
CID 50837579
2-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinazoline
CID 62993464
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-(4-chlorophenyl)propan-1-one
CID 108534171
1-[4-[3-(4-chlorophenyl)propanoyl]-1,4-diazepan-1-yl]-3-cyclohexylpropan-1-one
CID 108547690
2-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline
CID 22692821
1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone
CID 127043347

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[4-(2-chloroquinazolin-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-1-[4-(2-chloroquinazolin-4-yl)piperazin-1-yl]propan-1-one (CID 90988226) is 3-(4-chlorophenyl)-1-[4-(2-chloroquinazolin-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[4-(2-chloroquinazolin-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-[4-(2-chloroquinazolin-4-yl)piperazin-1-yl]propan-1-one is O=C(CCc1ccc(Cl)cc1)N1CCN(c2nc(Cl)nc3ccccc23)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[4-(2-chloroquinazolin-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is VCZWJXKGHFZAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O/c22-16-8-5-15(6-9-16)7-10-19(28)26-11-13-27(14-12-26)20-17-3-1-2-4-18(17)24-21(23)25-20/h1-6,8-9H,7,10-14H2.
What are the key properties of 3-(4-chlorophenyl)-1-[4-(2-chloroquinazolin-4-yl)piperazin-1-yl]propan-1-one?
3-(4-chlorophenyl)-1-[4-(2-chloroquinazolin-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 415.32 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[4-(2-chloroquinazolin-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 90988226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).