3-(2-ethylpyrrolidine-1-carbonyl)-6-methoxy-1H-quinolin-2-one

C17H20N2O3 — CID 166187773

IUPAC3-(2-ethylpyrrolidine-1-carbonyl)-6-methoxy-1H-quinolin-2-one
SMILESCCC1CCCN1C(=O)c1cc2cc(OC)ccc2[nH]c1=O
InChIInChI=1S/C17H20N2O3/c1-3-12-5-4-8-19(12)17(21)14-10-11-9-13(22-2)6-7-15(11)18-16(14)20/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,18,20)
InChIKeyAHFXCKZUAKGMOA-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.55
Rot. Bonds3

About 3-(2-ethylpyrrolidine-1-carbonyl)-6-methoxy-1H-quinolin-2-one

3-(2-ethylpyrrolidine-1-carbonyl)-6-methoxy-1H-quinolin-2-one (PubChem CID 166187773) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(2-ethylpyrrolidine-1-carbonyl)-6-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(2-ethylpyrrolidine-1-carbonyl)-6-methoxy-1H-quinolin-2-one
PubChem CID166187773
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-(2-ethylpyrrolidine-1-carbonyl)-6-methoxy-1H-quinolin-2-one
SMILESCCC1CCCN1C(=O)c1cc2cc(OC)ccc2[nH]c1=O
InChIInChI=1S/C17H20N2O3/c1-3-12-5-4-8-19(12)17(21)14-10-11-9-13(22-2)6-7-15(11)18-16(14)20/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,18,20)
InChIKeyAHFXCKZUAKGMOA-UHFFFAOYSA-N
XLogP2.55
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 119650109
(5-methoxy-3-methyl-1H-indol-2-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 74238881
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide
CID 97496283
1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 25451466
N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 95103360
(2-amino-5-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55138072
[2-(bromomethyl)pyrrolidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone
CID 80678328
(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115413023
(2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 122115205
N'-hydroxy-6-methoxy-2-oxo-1H-quinoline-3-carboximidamide
CID 135907593
1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 110855888
(2-ethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
CID 43403986

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrrolidine-1-carbonyl)-6-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-(2-ethylpyrrolidine-1-carbonyl)-6-methoxy-1H-quinolin-2-one (CID 166187773) is 3-(2-ethylpyrrolidine-1-carbonyl)-6-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-(2-ethylpyrrolidine-1-carbonyl)-6-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-(2-ethylpyrrolidine-1-carbonyl)-6-methoxy-1H-quinolin-2-one is CCC1CCCN1C(=O)c1cc2cc(OC)ccc2[nH]c1=O.
What is the InChIKey of 3-(2-ethylpyrrolidine-1-carbonyl)-6-methoxy-1H-quinolin-2-one?
The InChIKey is AHFXCKZUAKGMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-12-5-4-8-19(12)17(21)14-10-11-9-13(22-2)6-7-15(11)18-16(14)20/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,18,20).
What are the key properties of 3-(2-ethylpyrrolidine-1-carbonyl)-6-methoxy-1H-quinolin-2-one?
3-(2-ethylpyrrolidine-1-carbonyl)-6-methoxy-1H-quinolin-2-one has a molecular weight of 300.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpyrrolidine-1-carbonyl)-6-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 166187773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).