6-(2-cyclopropylpyrrolidin-2-yl)-2-methylquinoline

C17H20N2 — CID 81231708

IUPAC6-(2-cyclopropylpyrrolidin-2-yl)-2-methylquinoline
SMILESCc1ccc2cc(C3(C4CC4)CCCN3)ccc2n1
InChIInChI=1S/C17H20N2/c1-12-3-4-13-11-15(7-8-16(13)19-12)17(14-5-6-14)9-2-10-18-17/h3-4,7-8,11,14,18H,2,5-6,9-10H2,1H3
InChIKeyBGLJEPLGOVFMSD-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.53
Rot. Bonds2

About 6-(2-cyclopropylpyrrolidin-2-yl)-2-methylquinoline

6-(2-cyclopropylpyrrolidin-2-yl)-2-methylquinoline (PubChem CID 81231708) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 6-(2-cyclopropylpyrrolidin-2-yl)-2-methylquinoline.

Molecular Properties

Compound Name6-(2-cyclopropylpyrrolidin-2-yl)-2-methylquinoline
PubChem CID81231708
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name6-(2-cyclopropylpyrrolidin-2-yl)-2-methylquinoline
SMILESCc1ccc2cc(C3(C4CC4)CCCN3)ccc2n1
InChIInChI=1S/C17H20N2/c1-12-3-4-13-11-15(7-8-16(13)19-12)17(14-5-6-14)9-2-10-18-17/h3-4,7-8,11,14,18H,2,5-6,9-10H2,1H3
InChIKeyBGLJEPLGOVFMSD-UHFFFAOYSA-N
XLogP3.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylpyrrolidin-2-yl)-2-methylquinoline?
The IUPAC name of 6-(2-cyclopropylpyrrolidin-2-yl)-2-methylquinoline (CID 81231708) is 6-(2-cyclopropylpyrrolidin-2-yl)-2-methylquinoline.
What is the SMILES notation for 6-(2-cyclopropylpyrrolidin-2-yl)-2-methylquinoline?
The canonical SMILES for 6-(2-cyclopropylpyrrolidin-2-yl)-2-methylquinoline is Cc1ccc2cc(C3(C4CC4)CCCN3)ccc2n1.
What is the InChIKey of 6-(2-cyclopropylpyrrolidin-2-yl)-2-methylquinoline?
The InChIKey is BGLJEPLGOVFMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-12-3-4-13-11-15(7-8-16(13)19-12)17(14-5-6-14)9-2-10-18-17/h3-4,7-8,11,14,18H,2,5-6,9-10H2,1H3.
What are the key properties of 6-(2-cyclopropylpyrrolidin-2-yl)-2-methylquinoline?
6-(2-cyclopropylpyrrolidin-2-yl)-2-methylquinoline has a molecular weight of 252.36 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropylpyrrolidin-2-yl)-2-methylquinoline is sourced from PubChem (CID 81231708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).