7-bromo-4-piperazin-1-yl-2-propylquinoline;hydrochloride

C16H21BrClN3 — CID 121237135

IUPAC7-bromo-4-piperazin-1-yl-2-propylquinoline;hydrochloride
SMILESCCCc1cc(N2CCNCC2)c2ccc(Br)cc2n1.Cl
InChIInChI=1S/C16H20BrN3.ClH/c1-2-3-13-11-16(20-8-6-18-7-9-20)14-5-4-12(17)10-15(14)19-13;/h4-5,10-11,18H,2-3,6-9H2,1H3;1H
InChIKeyUCOPMKUTNWAMRA-UHFFFAOYSA-N
MW370.72 g/mol
LogP3.78
Rot. Bonds3

About 7-bromo-4-piperazin-1-yl-2-propylquinoline;hydrochloride

7-bromo-4-piperazin-1-yl-2-propylquinoline;hydrochloride (PubChem CID 121237135) has the molecular formula C16H21BrClN3 and a molecular weight of 370.72 g/mol. Its IUPAC name is 7-bromo-4-piperazin-1-yl-2-propylquinoline;hydrochloride.

Molecular Properties

Compound Name7-bromo-4-piperazin-1-yl-2-propylquinoline;hydrochloride
PubChem CID121237135
Molecular FormulaC16H21BrClN3
Molecular Weight370.72 g/mol
Exact Mass369.06
IUPAC Name7-bromo-4-piperazin-1-yl-2-propylquinoline;hydrochloride
SMILESCCCc1cc(N2CCNCC2)c2ccc(Br)cc2n1.Cl
InChIInChI=1S/C16H20BrN3.ClH/c1-2-3-13-11-16(20-8-6-18-7-9-20)14-5-4-12(17)10-15(14)19-13;/h4-5,10-11,18H,2-3,6-9H2,1H3;1H
InChIKeyUCOPMKUTNWAMRA-UHFFFAOYSA-N
XLogP3.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.72
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-Piperazinyl)-2-(trifluoromethyl)quinoline
CID 2777813
2-Methyl-4-(piperazin-1-yl)quinoline
CID 702318
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
1,2-Ethanediamine, N,N-dimethyl-N'-(2-phenyl-4-quinolinyl)-
CID 453048
9-(7-Aminoheptylamino)-1,2,3,4-tetrahydroacridine
CID 10662852
N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine
CID 10000434
N-Butyl-1,2,3,4-tetrahydro-9-acridinamine
CID 9423
Acridine, 9-(p-bromoanilino)-
CID 53345
4-(4-Methylpiperazino)-2-phenylquinoline
CID 453050
N'-(2,3-Dihydro-1H-cyclopenta[b]quinolin-9-yl)-N,N-dimethyl-ethane-1,2-diamine
CID 1570576

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-piperazin-1-yl-2-propylquinoline;hydrochloride?
The IUPAC name of 7-bromo-4-piperazin-1-yl-2-propylquinoline;hydrochloride (CID 121237135) is 7-bromo-4-piperazin-1-yl-2-propylquinoline;hydrochloride.
What is the SMILES notation for 7-bromo-4-piperazin-1-yl-2-propylquinoline;hydrochloride?
The canonical SMILES for 7-bromo-4-piperazin-1-yl-2-propylquinoline;hydrochloride is CCCc1cc(N2CCNCC2)c2ccc(Br)cc2n1.Cl.
What is the InChIKey of 7-bromo-4-piperazin-1-yl-2-propylquinoline;hydrochloride?
The InChIKey is UCOPMKUTNWAMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3.ClH/c1-2-3-13-11-16(20-8-6-18-7-9-20)14-5-4-12(17)10-15(14)19-13;/h4-5,10-11,18H,2-3,6-9H2,1H3;1H.
What are the key properties of 7-bromo-4-piperazin-1-yl-2-propylquinoline;hydrochloride?
7-bromo-4-piperazin-1-yl-2-propylquinoline;hydrochloride has a molecular weight of 370.72 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-piperazin-1-yl-2-propylquinoline;hydrochloride is sourced from PubChem (CID 121237135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).