5-chloro-2-methoxy-6-(2-methylpyrrolidin-2-yl)quinoline

C15H17ClN2O — CID 117443421

IUPAC5-chloro-2-methoxy-6-(2-methylpyrrolidin-2-yl)quinoline
SMILESCOc1ccc2c(Cl)c(C3(C)CCCN3)ccc2n1
InChIInChI=1S/C15H17ClN2O/c1-15(8-3-9-17-15)11-5-6-12-10(14(11)16)4-7-13(18-12)19-2/h4-7,17H,3,8-9H2,1-2H3
InChIKeyOKCAASQXAMJMJG-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.50
Rot. Bonds2

About 5-chloro-2-methoxy-6-(2-methylpyrrolidin-2-yl)quinoline

5-chloro-2-methoxy-6-(2-methylpyrrolidin-2-yl)quinoline (PubChem CID 117443421) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 5-chloro-2-methoxy-6-(2-methylpyrrolidin-2-yl)quinoline.

Molecular Properties

Compound Name5-chloro-2-methoxy-6-(2-methylpyrrolidin-2-yl)quinoline
PubChem CID117443421
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name5-chloro-2-methoxy-6-(2-methylpyrrolidin-2-yl)quinoline
SMILESCOc1ccc2c(Cl)c(C3(C)CCCN3)ccc2n1
InChIInChI=1S/C15H17ClN2O/c1-15(8-3-9-17-15)11-5-6-12-10(14(11)16)4-7-13(18-12)19-2/h4-7,17H,3,8-9H2,1-2H3
InChIKeyOKCAASQXAMJMJG-UHFFFAOYSA-N
XLogP3.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-(1-isocyanatocyclopentyl)-2-methoxyquinoline
CID 117487583
2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine
CID 117392452
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine
CID 117361392
2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117326742
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117409093
6-bromo-5-chloro-2-methoxyquinoline
CID 84713362
7-chloro-4-(2-methylpyrrolidin-2-yl)quinoline
CID 20977046
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
CID 117313039
2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117422224
6-fluoro-2-methyl-4-(2-methylpyrrolidin-2-yl)quinoline
CID 82664652
2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299724
2-(5-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpyrrolidine
CID 117456233

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-6-(2-methylpyrrolidin-2-yl)quinoline?
The IUPAC name of 5-chloro-2-methoxy-6-(2-methylpyrrolidin-2-yl)quinoline (CID 117443421) is 5-chloro-2-methoxy-6-(2-methylpyrrolidin-2-yl)quinoline.
What is the SMILES notation for 5-chloro-2-methoxy-6-(2-methylpyrrolidin-2-yl)quinoline?
The canonical SMILES for 5-chloro-2-methoxy-6-(2-methylpyrrolidin-2-yl)quinoline is COc1ccc2c(Cl)c(C3(C)CCCN3)ccc2n1.
What is the InChIKey of 5-chloro-2-methoxy-6-(2-methylpyrrolidin-2-yl)quinoline?
The InChIKey is OKCAASQXAMJMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-15(8-3-9-17-15)11-5-6-12-10(14(11)16)4-7-13(18-12)19-2/h4-7,17H,3,8-9H2,1-2H3.
What are the key properties of 5-chloro-2-methoxy-6-(2-methylpyrrolidin-2-yl)quinoline?
5-chloro-2-methoxy-6-(2-methylpyrrolidin-2-yl)quinoline has a molecular weight of 276.77 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-6-(2-methylpyrrolidin-2-yl)quinoline is sourced from PubChem (CID 117443421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).