3-chloro-5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride

C14H15Cl2F2N3 — CID 121236453

IUPAC3-chloro-5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCc1nc2cc(F)cc(F)c2c(N2CCNCC2)c1Cl.Cl
InChIInChI=1S/C14H14ClF2N3.ClH/c1-8-13(15)14(20-4-2-18-3-5-20)12-10(17)6-9(16)7-11(12)19-8;/h6-7,18H,2-5H2,1H3;1H
InChIKeyYMPWCXSQZLSMBM-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.31
Rot. Bonds1

About 3-chloro-5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride

3-chloro-5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride (PubChem CID 121236453) has the molecular formula C14H15Cl2F2N3 and a molecular weight of 334.20 g/mol. Its IUPAC name is 3-chloro-5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride.

Molecular Properties

Compound Name3-chloro-5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
PubChem CID121236453
Molecular FormulaC14H15Cl2F2N3
Molecular Weight334.20 g/mol
Exact Mass333.06
IUPAC Name3-chloro-5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCc1nc2cc(F)cc(F)c2c(N2CCNCC2)c1Cl.Cl
InChIInChI=1S/C14H14ClF2N3.ClH/c1-8-13(15)14(20-4-2-18-3-5-20)12-10(17)6-9(16)7-11(12)19-8;/h6-7,18H,2-5H2,1H3;1H
InChIKeyYMPWCXSQZLSMBM-UHFFFAOYSA-N
XLogP3.31
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
The IUPAC name of 3-chloro-5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride (CID 121236453) is 3-chloro-5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride.
What is the SMILES notation for 3-chloro-5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
The canonical SMILES for 3-chloro-5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride is Cc1nc2cc(F)cc(F)c2c(N2CCNCC2)c1Cl.Cl.
What is the InChIKey of 3-chloro-5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
The InChIKey is YMPWCXSQZLSMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2N3.ClH/c1-8-13(15)14(20-4-2-18-3-5-20)12-10(17)6-9(16)7-11(12)19-8;/h6-7,18H,2-5H2,1H3;1H.
What are the key properties of 3-chloro-5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
3-chloro-5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride has a molecular weight of 334.20 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride is sourced from PubChem (CID 121236453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).