[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone

C20H19ClN4O3S — CID 133314829

IUPAC[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncnc4cc(Cl)ccc34)CC2)c1
InChIInChI=1S/C20H19ClN4O3S/c1-29(27,28)16-4-2-3-14(11-16)20(26)25-9-7-24(8-10-25)19-17-6-5-15(21)12-18(17)22-13-23-19/h2-6,11-13H,7-10H2,1H3
InChIKeyZEEYNBXIVMDWNQ-UHFFFAOYSA-N
MW430.92 g/mol
LogP2.65
Rot. Bonds3

About [4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone

[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone (PubChem CID 133314829) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is [4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
PubChem CID133314829
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC Name[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncnc4cc(Cl)ccc34)CC2)c1
InChIInChI=1S/C20H19ClN4O3S/c1-29(27,28)16-4-2-3-14(11-16)20(26)25-9-7-24(8-10-25)19-17-6-5-15(21)12-18(17)22-13-23-19/h2-6,11-13H,7-10H2,1H3
InChIKeyZEEYNBXIVMDWNQ-UHFFFAOYSA-N
XLogP2.65
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chlorophenyl)-[4-[1-(7-chloroquinazolin-4-yl)-4-hydroxy-4-methylpyrrolidin-3-yl]piperazin-1-yl]methanone
CID 66968301
[4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842499
(3-chlorophenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 25320248
(4-chlorophenyl)-[(3S)-3-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone
CID 143257056
2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 56903524
2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 87015310
1-[4-(6-chloroquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 171328778
1-(3-methylsulfonylbenzoyl)piperidin-4-one
CID 22397490
piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842473
1-[2-fluoro-6-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 133314802
1-(7-chloroquinazolin-4-yl)piperidin-4-ol
CID 17488821
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239

Frequently Asked Questions

What is the IUPAC name of [4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone?
The IUPAC name of [4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone (CID 133314829) is [4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone?
The canonical SMILES for [4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone is CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncnc4cc(Cl)ccc34)CC2)c1.
What is the InChIKey of [4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone?
The InChIKey is ZEEYNBXIVMDWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c1-29(27,28)16-4-2-3-14(11-16)20(26)25-9-7-24(8-10-25)19-17-6-5-15(21)12-18(17)22-13-23-19/h2-6,11-13H,7-10H2,1H3.
What are the key properties of [4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone?
[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone has a molecular weight of 430.92 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone is sourced from PubChem (CID 133314829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).