4-chloro-2-methyl-6-(pyrrolidin-1-ylmethyl)quinoline

C15H17ClN2 — CID 174283442

IUPAC4-chloro-2-methyl-6-(pyrrolidin-1-ylmethyl)quinoline
SMILESCc1cc(Cl)c2cc(CN3CCCC3)ccc2n1
InChIInChI=1S/C15H17ClN2/c1-11-8-14(16)13-9-12(4-5-15(13)17-11)10-18-6-2-3-7-18/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyVRNOVXQLLKFZNK-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.79
Rot. Bonds2

About 4-chloro-2-methyl-6-(pyrrolidin-1-ylmethyl)quinoline

4-chloro-2-methyl-6-(pyrrolidin-1-ylmethyl)quinoline (PubChem CID 174283442) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-(pyrrolidin-1-ylmethyl)quinoline.

Molecular Properties

Compound Name4-chloro-2-methyl-6-(pyrrolidin-1-ylmethyl)quinoline
PubChem CID174283442
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name4-chloro-2-methyl-6-(pyrrolidin-1-ylmethyl)quinoline
SMILESCc1cc(Cl)c2cc(CN3CCCC3)ccc2n1
InChIInChI=1S/C15H17ClN2/c1-11-8-14(16)13-9-12(4-5-15(13)17-11)10-18-6-2-3-7-18/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyVRNOVXQLLKFZNK-UHFFFAOYSA-N
XLogP3.79
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-(pyrrolidin-1-ylmethyl)quinoline?
The IUPAC name of 4-chloro-2-methyl-6-(pyrrolidin-1-ylmethyl)quinoline (CID 174283442) is 4-chloro-2-methyl-6-(pyrrolidin-1-ylmethyl)quinoline.
What is the SMILES notation for 4-chloro-2-methyl-6-(pyrrolidin-1-ylmethyl)quinoline?
The canonical SMILES for 4-chloro-2-methyl-6-(pyrrolidin-1-ylmethyl)quinoline is Cc1cc(Cl)c2cc(CN3CCCC3)ccc2n1.
What is the InChIKey of 4-chloro-2-methyl-6-(pyrrolidin-1-ylmethyl)quinoline?
The InChIKey is VRNOVXQLLKFZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-11-8-14(16)13-9-12(4-5-15(13)17-11)10-18-6-2-3-7-18/h4-5,8-9H,2-3,6-7,10H2,1H3.
What are the key properties of 4-chloro-2-methyl-6-(pyrrolidin-1-ylmethyl)quinoline?
4-chloro-2-methyl-6-(pyrrolidin-1-ylmethyl)quinoline has a molecular weight of 260.77 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-(pyrrolidin-1-ylmethyl)quinoline is sourced from PubChem (CID 174283442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).