6-(2-cyclopropyl-4-pyridinyl)-2-(3-methylbutyl)quinoline

C22H24N2 — CID 151699147

IUPAC6-(2-cyclopropyl-4-pyridinyl)-2-(3-methylbutyl)quinoline
SMILESCC(C)CCc1ccc2cc(-c3ccnc(C4CC4)c3)ccc2n1
InChIInChI=1S/C22H24N2/c1-15(2)3-8-20-9-6-19-13-17(7-10-21(19)24-20)18-11-12-23-22(14-18)16-4-5-16/h6-7,9-16H,3-5,8H2,1-2H3
InChIKeyREFDOMOQOORXJR-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.76
Rot. Bonds5

About 6-(2-cyclopropyl-4-pyridinyl)-2-(3-methylbutyl)quinoline

6-(2-cyclopropyl-4-pyridinyl)-2-(3-methylbutyl)quinoline (PubChem CID 151699147) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 6-(2-cyclopropyl-4-pyridinyl)-2-(3-methylbutyl)quinoline.

Molecular Properties

Compound Name6-(2-cyclopropyl-4-pyridinyl)-2-(3-methylbutyl)quinoline
PubChem CID151699147
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name6-(2-cyclopropyl-4-pyridinyl)-2-(3-methylbutyl)quinoline
SMILESCC(C)CCc1ccc2cc(-c3ccnc(C4CC4)c3)ccc2n1
InChIInChI=1S/C22H24N2/c1-15(2)3-8-20-9-6-19-13-17(7-10-21(19)24-20)18-11-12-23-22(14-18)16-4-5-16/h6-7,9-16H,3-5,8H2,1-2H3
InChIKeyREFDOMOQOORXJR-UHFFFAOYSA-N
XLogP5.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropyl-4-pyridinyl)-2-(3-methylbutyl)quinoline?
The IUPAC name of 6-(2-cyclopropyl-4-pyridinyl)-2-(3-methylbutyl)quinoline (CID 151699147) is 6-(2-cyclopropyl-4-pyridinyl)-2-(3-methylbutyl)quinoline.
What is the SMILES notation for 6-(2-cyclopropyl-4-pyridinyl)-2-(3-methylbutyl)quinoline?
The canonical SMILES for 6-(2-cyclopropyl-4-pyridinyl)-2-(3-methylbutyl)quinoline is CC(C)CCc1ccc2cc(-c3ccnc(C4CC4)c3)ccc2n1.
What is the InChIKey of 6-(2-cyclopropyl-4-pyridinyl)-2-(3-methylbutyl)quinoline?
The InChIKey is REFDOMOQOORXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-15(2)3-8-20-9-6-19-13-17(7-10-21(19)24-20)18-11-12-23-22(14-18)16-4-5-16/h6-7,9-16H,3-5,8H2,1-2H3.
What are the key properties of 6-(2-cyclopropyl-4-pyridinyl)-2-(3-methylbutyl)quinoline?
6-(2-cyclopropyl-4-pyridinyl)-2-(3-methylbutyl)quinoline has a molecular weight of 316.45 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropyl-4-pyridinyl)-2-(3-methylbutyl)quinoline is sourced from PubChem (CID 151699147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).