1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one

C17H20N2O — CID 79546140

IUPAC1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1Cc1ccnc2ccccc12
InChIInChI=1S/C17H20N2O/c1-13(20)11-15-5-4-10-19(15)12-14-8-9-18-17-7-3-2-6-16(14)17/h2-3,6-9,15H,4-5,10-12H2,1H3
InChIKeyWVGLGXJZIIUGFX-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.18
Rot. Bonds4

About 1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one

1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one (PubChem CID 79546140) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one
PubChem CID79546140
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1Cc1ccnc2ccccc12
InChIInChI=1S/C17H20N2O/c1-13(20)11-15-5-4-10-19(15)12-14-8-9-18-17-7-3-2-6-16(14)17/h2-3,6-9,15H,4-5,10-12H2,1H3
InChIKeyWVGLGXJZIIUGFX-UHFFFAOYSA-N
XLogP3.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79240208
[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79241362
4-[[2-(bromomethyl)azepan-1-yl]methyl]quinoline
CID 116638308
ethyl 1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate
CID 79232010
1-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]propan-2-one
CID 79539105
methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate
CID 115537863
1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-one
CID 103172885
1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-4-ylmethyl)methanamine
CID 63850213
1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one
CID 79538611
[4-methyl-1-(quinolin-4-ylmethyl)piperidin-2-yl]methanamine
CID 103440529
methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate
CID 115537032
4-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 79240792

Frequently Asked Questions

What is the IUPAC name of 1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one (CID 79546140) is 1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one is CC(=O)CC1CCCN1Cc1ccnc2ccccc12.
What is the InChIKey of 1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one?
The InChIKey is WVGLGXJZIIUGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13(20)11-15-5-4-10-19(15)12-14-8-9-18-17-7-3-2-6-16(14)17/h2-3,6-9,15H,4-5,10-12H2,1H3.
What are the key properties of 1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one?
1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one has a molecular weight of 268.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 79546140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).