2-methyl-2-pyrrolidin-1-yl-1-quinolin-8-ylpropan-1-one

C17H20N2O — CID 81220801

IUPAC2-methyl-2-pyrrolidin-1-yl-1-quinolin-8-ylpropan-1-one
SMILESCC(C)(C(=O)c1cccc2cccnc12)N1CCCC1
InChIInChI=1S/C17H20N2O/c1-17(2,19-11-3-4-12-19)16(20)14-9-5-7-13-8-6-10-18-15(13)14/h5-10H,3-4,11-12H2,1-2H3
InChIKeyMQQJQLQENGBQDW-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.29
Rot. Bonds3

About 2-methyl-2-pyrrolidin-1-yl-1-quinolin-8-ylpropan-1-one

2-methyl-2-pyrrolidin-1-yl-1-quinolin-8-ylpropan-1-one (PubChem CID 81220801) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methyl-2-pyrrolidin-1-yl-1-quinolin-8-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-2-pyrrolidin-1-yl-1-quinolin-8-ylpropan-1-one
PubChem CID81220801
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-methyl-2-pyrrolidin-1-yl-1-quinolin-8-ylpropan-1-one
SMILESCC(C)(C(=O)c1cccc2cccnc12)N1CCCC1
InChIInChI=1S/C17H20N2O/c1-17(2,19-11-3-4-12-19)16(20)14-9-5-7-13-8-6-10-18-15(13)14/h5-10H,3-4,11-12H2,1-2H3
InChIKeyMQQJQLQENGBQDW-UHFFFAOYSA-N
XLogP3.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

palladium;quinoline-8-carboxylic acid
CID 174945118
2-methyl-2-piperidin-1-yl-1-quinolin-6-ylpropan-1-one
CID 81198324
2-methyl-2-pyrrolidin-1-yl-1-quinolin-7-ylpropan-1-one
CID 81220953
cyclopentyl(quinolin-8-yl)methanone
CID 81220027
2-(diethylamino)-2-methyl-1-quinolin-8-ylbutan-1-one
CID 81196407
2-(aminomethyl)-2-ethyl-1-quinolin-8-ylbutan-1-one
CID 116603879
1-quinolin-8-ylprop-2-yn-1-one
CID 105108252
(4-tert-butylphenyl)-quinolin-8-ylmethanone
CID 102581511
1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 79055855
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
pyrimidin-2-yl(quinolin-8-yl)methanone
CID 81220703
N-(2-methyl-2-morpholin-4-ylpropyl)quinoline-8-carboxamide
CID 17459698

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pyrrolidin-1-yl-1-quinolin-8-ylpropan-1-one?
The IUPAC name of 2-methyl-2-pyrrolidin-1-yl-1-quinolin-8-ylpropan-1-one (CID 81220801) is 2-methyl-2-pyrrolidin-1-yl-1-quinolin-8-ylpropan-1-one.
What is the SMILES notation for 2-methyl-2-pyrrolidin-1-yl-1-quinolin-8-ylpropan-1-one?
The canonical SMILES for 2-methyl-2-pyrrolidin-1-yl-1-quinolin-8-ylpropan-1-one is CC(C)(C(=O)c1cccc2cccnc12)N1CCCC1.
What is the InChIKey of 2-methyl-2-pyrrolidin-1-yl-1-quinolin-8-ylpropan-1-one?
The InChIKey is MQQJQLQENGBQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-17(2,19-11-3-4-12-19)16(20)14-9-5-7-13-8-6-10-18-15(13)14/h5-10H,3-4,11-12H2,1-2H3.
What are the key properties of 2-methyl-2-pyrrolidin-1-yl-1-quinolin-8-ylpropan-1-one?
2-methyl-2-pyrrolidin-1-yl-1-quinolin-8-ylpropan-1-one has a molecular weight of 268.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pyrrolidin-1-yl-1-quinolin-8-ylpropan-1-one is sourced from PubChem (CID 81220801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).