3-chloro-4-methyl-2-[(3-methylpiperazin-1-yl)methyl]quinoline;dihydrochloride

C16H22Cl3N3 — CID 119924677

IUPAC3-chloro-4-methyl-2-[(3-methylpiperazin-1-yl)methyl]quinoline;dihydrochloride
SMILESCc1c(Cl)c(CN2CCNC(C)C2)nc2ccccc12.Cl.Cl
InChIInChI=1S/C16H20ClN3.2ClH/c1-11-9-20(8-7-18-11)10-15-16(17)12(2)13-5-3-4-6-14(13)19-15;;/h3-6,11,18H,7-10H2,1-2H3;2*1H
InChIKeyKYNAFWARVHDZJW-UHFFFAOYSA-N
MW362.73 g/mol
LogP3.83
Rot. Bonds2

About 3-chloro-4-methyl-2-[(3-methylpiperazin-1-yl)methyl]quinoline;dihydrochloride

3-chloro-4-methyl-2-[(3-methylpiperazin-1-yl)methyl]quinoline;dihydrochloride (PubChem CID 119924677) has the molecular formula C16H22Cl3N3 and a molecular weight of 362.73 g/mol. Its IUPAC name is 3-chloro-4-methyl-2-[(3-methylpiperazin-1-yl)methyl]quinoline;dihydrochloride.

Molecular Properties

Compound Name3-chloro-4-methyl-2-[(3-methylpiperazin-1-yl)methyl]quinoline;dihydrochloride
PubChem CID119924677
Molecular FormulaC16H22Cl3N3
Molecular Weight362.73 g/mol
Exact Mass361.09
IUPAC Name3-chloro-4-methyl-2-[(3-methylpiperazin-1-yl)methyl]quinoline;dihydrochloride
SMILESCc1c(Cl)c(CN2CCNC(C)C2)nc2ccccc12.Cl.Cl
InChIInChI=1S/C16H20ClN3.2ClH/c1-11-9-20(8-7-18-11)10-15-16(17)12(2)13-5-3-4-6-14(13)19-15;;/h3-6,11,18H,7-10H2,1-2H3;2*1H
InChIKeyKYNAFWARVHDZJW-UHFFFAOYSA-N
XLogP3.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.73
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]pyrrolidin-3-amine
CID 81492580
1-[(3-chloro-4-methylquinolin-2-yl)methyl]azetidin-3-amine
CID 65250174
(3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]piperidine-3-carboxylic acid
CID 124694319
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-quinoxalin-2-one
CID 104975782
1-benzyl-3-methylpiperazine;ethane
CID 166543639
(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975594
2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline
CID 113345872
[4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 18129591
1-ethyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]indazole
CID 104881355
(3S)-1-[(6-chloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104976962
2-[(3-methylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 65449041

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-2-[(3-methylpiperazin-1-yl)methyl]quinoline;dihydrochloride?
The IUPAC name of 3-chloro-4-methyl-2-[(3-methylpiperazin-1-yl)methyl]quinoline;dihydrochloride (CID 119924677) is 3-chloro-4-methyl-2-[(3-methylpiperazin-1-yl)methyl]quinoline;dihydrochloride.
What is the SMILES notation for 3-chloro-4-methyl-2-[(3-methylpiperazin-1-yl)methyl]quinoline;dihydrochloride?
The canonical SMILES for 3-chloro-4-methyl-2-[(3-methylpiperazin-1-yl)methyl]quinoline;dihydrochloride is Cc1c(Cl)c(CN2CCNC(C)C2)nc2ccccc12.Cl.Cl.
What is the InChIKey of 3-chloro-4-methyl-2-[(3-methylpiperazin-1-yl)methyl]quinoline;dihydrochloride?
The InChIKey is KYNAFWARVHDZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3.2ClH/c1-11-9-20(8-7-18-11)10-15-16(17)12(2)13-5-3-4-6-14(13)19-15;;/h3-6,11,18H,7-10H2,1-2H3;2*1H.
What are the key properties of 3-chloro-4-methyl-2-[(3-methylpiperazin-1-yl)methyl]quinoline;dihydrochloride?
3-chloro-4-methyl-2-[(3-methylpiperazin-1-yl)methyl]quinoline;dihydrochloride has a molecular weight of 362.73 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-2-[(3-methylpiperazin-1-yl)methyl]quinoline;dihydrochloride is sourced from PubChem (CID 119924677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).