5-chloro-2-methyl-4-piperazin-1-ylquinoline;2-methylquinoline

C24H25ClN4 — CID 158334079

IUPAC5-chloro-2-methyl-4-piperazin-1-ylquinoline;2-methylquinoline
SMILESCc1cc(N2CCNCC2)c2c(Cl)cccc2n1.Cc1ccc2ccccc2n1
InChIInChI=1S/C14H16ClN3.C10H9N/c1-10-9-13(18-7-5-16-6-8-18)14-11(15)3-2-4-12(14)17-10;1-8-6-7-9-4-2-3-5-10(9)11-8/h2-4,9,16H,5-8H2,1H3;2-7H,1H3
InChIKeyGQJFADIBZLGGJE-UHFFFAOYSA-N
MW404.95 g/mol
LogP5.15
Rot. Bonds1

About 5-chloro-2-methyl-4-piperazin-1-ylquinoline;2-methylquinoline

5-chloro-2-methyl-4-piperazin-1-ylquinoline;2-methylquinoline (PubChem CID 158334079) has the molecular formula C24H25ClN4 and a molecular weight of 404.95 g/mol. Its IUPAC name is 5-chloro-2-methyl-4-piperazin-1-ylquinoline;2-methylquinoline.

Molecular Properties

Compound Name5-chloro-2-methyl-4-piperazin-1-ylquinoline;2-methylquinoline
PubChem CID158334079
Molecular FormulaC24H25ClN4
Molecular Weight404.95 g/mol
Exact Mass404.18
IUPAC Name5-chloro-2-methyl-4-piperazin-1-ylquinoline;2-methylquinoline
SMILESCc1cc(N2CCNCC2)c2c(Cl)cccc2n1.Cc1ccc2ccccc2n1
InChIInChI=1S/C14H16ClN3.C10H9N/c1-10-9-13(18-7-5-16-6-8-18)14-11(15)3-2-4-12(14)17-10;1-8-6-7-9-4-2-3-5-10(9)11-8/h2-4,9,16H,5-8H2,1H3;2-7H,1H3
InChIKeyGQJFADIBZLGGJE-UHFFFAOYSA-N
XLogP5.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.95
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 17040066
5-chloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236924
1-chloronaphthalene;2-methylquinoline
CID 175049880
1-(2-chlorophenyl)piperazine
CID 162116490
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683
8-chloro-3-methyl-2-piperazin-1-ylquinoline
CID 84638749
2-(2-chlorophenyl)-4-methyl-6-piperazin-1-ylpyrimidine
CID 82169345
dichloroplatinum;bis(2-methylquinoline)
CID 50909727
2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121235975
5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236880
ethane;methane;2-methylquinoline
CID 144748871
2-methylquinoline;naphthalene;hydrochloride
CID 175029103

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-4-piperazin-1-ylquinoline;2-methylquinoline?
The IUPAC name of 5-chloro-2-methyl-4-piperazin-1-ylquinoline;2-methylquinoline (CID 158334079) is 5-chloro-2-methyl-4-piperazin-1-ylquinoline;2-methylquinoline.
What is the SMILES notation for 5-chloro-2-methyl-4-piperazin-1-ylquinoline;2-methylquinoline?
The canonical SMILES for 5-chloro-2-methyl-4-piperazin-1-ylquinoline;2-methylquinoline is Cc1cc(N2CCNCC2)c2c(Cl)cccc2n1.Cc1ccc2ccccc2n1.
What is the InChIKey of 5-chloro-2-methyl-4-piperazin-1-ylquinoline;2-methylquinoline?
The InChIKey is GQJFADIBZLGGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3.C10H9N/c1-10-9-13(18-7-5-16-6-8-18)14-11(15)3-2-4-12(14)17-10;1-8-6-7-9-4-2-3-5-10(9)11-8/h2-4,9,16H,5-8H2,1H3;2-7H,1H3.
What are the key properties of 5-chloro-2-methyl-4-piperazin-1-ylquinoline;2-methylquinoline?
5-chloro-2-methyl-4-piperazin-1-ylquinoline;2-methylquinoline has a molecular weight of 404.95 g/mol, XLogP of 5.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-4-piperazin-1-ylquinoline;2-methylquinoline is sourced from PubChem (CID 158334079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).