3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one

C16H19N3O2 — CID 119650109

IUPAC3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
SMILESCNCC1CCCN1C(=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C16H19N3O2/c1-17-10-12-6-4-8-19(12)16(21)13-9-11-5-2-3-7-14(11)18-15(13)20/h2-3,5,7,9,12,17H,4,6,8,10H2,1H3,(H,18,20)
InChIKeyUFAXHFXXQYRJAY-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.35
Rot. Bonds3

About 3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one

3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 119650109) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
PubChem CID119650109
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
SMILESCNCC1CCCN1C(=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C16H19N3O2/c1-17-10-12-6-4-8-19(12)16(21)13-9-11-5-2-3-7-14(11)18-15(13)20/h2-3,5,7,9,12,17H,4,6,8,10H2,1H3,(H,18,20)
InChIKeyUFAXHFXXQYRJAY-UHFFFAOYSA-N
XLogP1.35
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 122115205
3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119396572
3-[2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 77086103
1H-indol-3-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 115316389
1-benzofuran-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484568
3-(2-ethylpyrrolidine-1-carbonyl)-6-methoxy-1H-quinolin-2-one
CID 166187773
3-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 94026029
6-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 114040292
3-(4-methylpiperidine-1-carbonyl)-1H-quinolin-2-one
CID 16589973
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 81485630
(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113285249
3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119623243

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one (CID 119650109) is 3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one is CNCC1CCCN1C(=O)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is UFAXHFXXQYRJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-17-10-12-6-4-8-19(12)16(21)13-9-11-5-2-3-7-14(11)18-15(13)20/h2-3,5,7,9,12,17H,4,6,8,10H2,1H3,(H,18,20).
What are the key properties of 3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one?
3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 285.35 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 119650109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).