2-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinazoline

C13H15ClN4O2S — CID 62993464

IUPAC2-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinazoline
SMILESCS(=O)(=O)N1CCN(c2nc(Cl)nc3ccccc23)CC1
InChIInChI=1S/C13H15ClN4O2S/c1-21(19,20)18-8-6-17(7-9-18)12-10-4-2-3-5-11(10)15-13(14)16-12/h2-5H,6-9H2,1H3
InChIKeyKPQJFUFDBHGYBA-UHFFFAOYSA-N
MW326.81 g/mol
LogP1.36
Rot. Bonds2

About 2-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinazoline

2-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinazoline (PubChem CID 62993464) has the molecular formula C13H15ClN4O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is 2-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name2-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinazoline
PubChem CID62993464
Molecular FormulaC13H15ClN4O2S
Molecular Weight326.81 g/mol
Exact Mass326.06
IUPAC Name2-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinazoline
SMILESCS(=O)(=O)N1CCN(c2nc(Cl)nc3ccccc23)CC1
InChIInChI=1S/C13H15ClN4O2S/c1-21(19,20)18-8-6-17(7-9-18)12-10-4-2-3-5-11(10)15-13(14)16-12/h2-5H,6-9H2,1H3
InChIKeyKPQJFUFDBHGYBA-UHFFFAOYSA-N
XLogP1.36
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-Methylquipazine
CID 5013
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427
4-(4-Acetyl-1-piperazinyl)quinazoline
CID 594152
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
4-(4-Methylpiperazin-1-yl)quinazoline
CID 21029584
4-[4-(2,5-Difluorophenyl)sulfonylpiperazin-1-yl]quinazoline
CID 9207874
2-(4-Methylpiperazin-1-yl)quinazolin-4-amine
CID 1403136
N,N-Dimethyl-C-[4-(4-phenylamino-quinazolin-2-ylamino)-phenyl]-methanesulfonamide
CID 44271542
Diethyl-(2-morpholin-4-yl-quinazolin-4-yl)-amine
CID 6457762
2-[4-(methylsulfonyl)-1-piperazinyl]-N-(1-phenylethyl)-4-quinazolinamine
CID 2954542
2-Phenyl-4-(1-piperidinyl)quinazoline
CID 780644
4-(4-Methyl-1-piperidinyl)-2-phenylquinazoline
CID 719693

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinazoline?
The IUPAC name of 2-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinazoline (CID 62993464) is 2-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 2-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinazoline?
The canonical SMILES for 2-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinazoline is CS(=O)(=O)N1CCN(c2nc(Cl)nc3ccccc23)CC1.
What is the InChIKey of 2-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinazoline?
The InChIKey is KPQJFUFDBHGYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2S/c1-21(19,20)18-8-6-17(7-9-18)12-10-4-2-3-5-11(10)15-13(14)16-12/h2-5H,6-9H2,1H3.
What are the key properties of 2-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinazoline?
2-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinazoline has a molecular weight of 326.81 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 62993464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).