3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]quinoline

C16H20N2 — CID 124500180

IUPAC3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]quinoline
SMILESCC(C)N1CCC[C@@H]1c1cnc2ccccc2c1
InChIInChI=1S/C16H20N2/c1-12(2)18-9-5-8-16(18)14-10-13-6-3-4-7-15(13)17-11-14/h3-4,6-7,10-12,16H,5,8-9H2,1-2H3/t16-/m1/s1
InChIKeyISVVHSDJIYIBQN-MRXNPFEDSA-N
MW240.35 g/mol
LogP3.78
Rot. Bonds2

About 3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]quinoline

3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]quinoline (PubChem CID 124500180) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]quinoline.

Molecular Properties

Compound Name3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]quinoline
PubChem CID124500180
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]quinoline
SMILESCC(C)N1CCC[C@@H]1c1cnc2ccccc2c1
InChIInChI=1S/C16H20N2/c1-12(2)18-9-5-8-16(18)14-10-13-6-3-4-7-15(13)17-11-14/h3-4,6-7,10-12,16H,5,8-9H2,1-2H3/t16-/m1/s1
InChIKeyISVVHSDJIYIBQN-MRXNPFEDSA-N
XLogP3.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone
CID 124500175
3-(1-butylpyrrolidin-2-yl)quinoline
CID 102543349
3-[(2R)-1-butylpyrrolidin-2-yl]quinoline
CID 124500186
1-(2-quinolin-3-ylpyrrolidin-1-yl)prop-2-en-1-one
CID 51346071
phenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone
CID 124500188
2-chloro-5-(1-propan-2-ylpyrrolidin-2-yl)pyridine
CID 102539185
(2S)-2-phenyl-1-propan-2-ylpiperidine
CID 140931618
2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine
CID 89274443
N-cyclopentyl-5-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine
CID 102540450
5-quinolin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557216
2-(4-cyclopropylphenyl)-1-propan-2-ylpyrrolidine
CID 167249235
5-fluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine
CID 71100553

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]quinoline?
The IUPAC name of 3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]quinoline (CID 124500180) is 3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]quinoline.
What is the SMILES notation for 3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]quinoline?
The canonical SMILES for 3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]quinoline is CC(C)N1CCC[C@@H]1c1cnc2ccccc2c1.
What is the InChIKey of 3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]quinoline?
The InChIKey is ISVVHSDJIYIBQN-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20N2/c1-12(2)18-9-5-8-16(18)14-10-13-6-3-4-7-15(13)17-11-14/h3-4,6-7,10-12,16H,5,8-9H2,1-2H3/t16-/m1/s1.
What are the key properties of 3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]quinoline?
3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]quinoline has a molecular weight of 240.35 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]quinoline is sourced from PubChem (CID 124500180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).