3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline

C15H18ClN3O — CID 121236492

IUPAC3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline
SMILESCOc1ccc2nc(C)c(Cl)c(N3CCNCC3)c2c1
InChIInChI=1S/C15H18ClN3O/c1-10-14(16)15(19-7-5-17-6-8-19)12-9-11(20-2)3-4-13(12)18-10/h3-4,9,17H,5-8H2,1-2H3
InChIKeyVAMGLYUOXSUGAF-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.61
Rot. Bonds2

About 3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline

3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline (PubChem CID 121236492) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline.

Molecular Properties

Compound Name3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline
PubChem CID121236492
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline
SMILESCOc1ccc2nc(C)c(Cl)c(N3CCNCC3)c2c1
InChIInChI=1S/C15H18ClN3O/c1-10-14(16)15(19-7-5-17-6-8-19)12-9-11(20-2)3-4-13(12)18-10/h3-4,9,17H,5-8H2,1-2H3
InChIKeyVAMGLYUOXSUGAF-UHFFFAOYSA-N
XLogP2.61
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236420
3-chloro-2-methyl-4-piperazin-1-yl-7-(trifluoromethoxy)quinoline
CID 121236413
3-bromo-6-methoxy-4-piperazin-1-ylquinoline
CID 121236333
3-chloro-7-fluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236507
2,4-dichloro-6-methoxy-3-piperidin-1-ylquinoline
CID 110272527
1-(2-chloro-5-methoxyphenyl)piperazine
CID 18663028
5-methoxy-3-piperazin-1-yl-2,1-benzoxazole
CID 84696731
3-bromo-2,6-dimethyl-4-piperazin-1-ylquinoline
CID 121236184
6-methoxy-4-piperazin-1-yl-2-propylquinoline
CID 121237076
3,7-dichloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236144
7-methoxy-4-methyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121237212
6-methoxy-2-methyl-4-(2-piperazin-1-yl-4-pyridinyl)quinoline;tetrahydrochloride
CID 171686344

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline?
The IUPAC name of 3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline (CID 121236492) is 3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline.
What is the SMILES notation for 3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline?
The canonical SMILES for 3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline is COc1ccc2nc(C)c(Cl)c(N3CCNCC3)c2c1.
What is the InChIKey of 3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline?
The InChIKey is VAMGLYUOXSUGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10-14(16)15(19-7-5-17-6-8-19)12-9-11(20-2)3-4-13(12)18-10/h3-4,9,17H,5-8H2,1-2H3.
What are the key properties of 3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline?
3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline has a molecular weight of 291.78 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline is sourced from PubChem (CID 121236492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).