3-chloro-7-fluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride

C14H16Cl2FN3 — CID 121236507

IUPAC3-chloro-7-fluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCc1nc2cc(F)ccc2c(N2CCNCC2)c1Cl.Cl
InChIInChI=1S/C14H15ClFN3.ClH/c1-9-13(15)14(19-6-4-17-5-7-19)11-3-2-10(16)8-12(11)18-9;/h2-3,8,17H,4-7H2,1H3;1H
InChIKeyHJRWCFOBNRCHAJ-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.17
Rot. Bonds1

About 3-chloro-7-fluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride

3-chloro-7-fluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride (PubChem CID 121236507) has the molecular formula C14H16Cl2FN3 and a molecular weight of 316.21 g/mol. Its IUPAC name is 3-chloro-7-fluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride.

Molecular Properties

Compound Name3-chloro-7-fluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
PubChem CID121236507
Molecular FormulaC14H16Cl2FN3
Molecular Weight316.21 g/mol
Exact Mass315.07
IUPAC Name3-chloro-7-fluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCc1nc2cc(F)ccc2c(N2CCNCC2)c1Cl.Cl
InChIInChI=1S/C14H15ClFN3.ClH/c1-9-13(15)14(19-6-4-17-5-7-19)11-3-2-10(16)8-12(11)18-9;/h2-3,8,17H,4-7H2,1H3;1H
InChIKeyHJRWCFOBNRCHAJ-UHFFFAOYSA-N
XLogP3.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Aminoquinol
CID 5708341
Ro 41-3118
CID 408190
4-Piperazin-1-yl-quinoline
CID 1534386
4-(1-Piperazinyl)-2-(trifluoromethyl)quinoline
CID 2777813
2-Methyl-4-(piperazin-1-yl)quinoline
CID 702318
7-Chloro-4-(piperazin-1-yl)quinoline
CID 738389
2-Phenyl-N-(2-(1-piperidinyl)ethyl)-4-quinolinamine
CID 2728458
9-(3'-Dimethylaminopropylamino)acridine
CID 14169
N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
CID 657093
7-chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine
CID 4791782
4-amino-7-chloroquinoline (ACQ)-based compound, 6
CID 221208
1,2-Ethanediamine, N,N-dimethyl-N'-(2-phenyl-4-quinolinyl)-
CID 453048

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-fluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
The IUPAC name of 3-chloro-7-fluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride (CID 121236507) is 3-chloro-7-fluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride.
What is the SMILES notation for 3-chloro-7-fluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
The canonical SMILES for 3-chloro-7-fluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride is Cc1nc2cc(F)ccc2c(N2CCNCC2)c1Cl.Cl.
What is the InChIKey of 3-chloro-7-fluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
The InChIKey is HJRWCFOBNRCHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3.ClH/c1-9-13(15)14(19-6-4-17-5-7-19)11-3-2-10(16)8-12(11)18-9;/h2-3,8,17H,4-7H2,1H3;1H.
What are the key properties of 3-chloro-7-fluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
3-chloro-7-fluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride has a molecular weight of 316.21 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-fluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride is sourced from PubChem (CID 121236507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).