4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-methylquinolin-2-one

C17H21N3O2 — CID 120809193

IUPAC4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(C(=O)N2CCC(C)(CN)C2)c2ccccc21
InChIInChI=1S/C17H21N3O2/c1-17(10-18)7-8-20(11-17)16(22)13-9-15(21)19(2)14-6-4-3-5-12(13)14/h3-6,9H,7-8,10-11,18H2,1-2H3
InChIKeyGQAIDGKFDTZBTJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.35
Rot. Bonds2

About 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-methylquinolin-2-one

4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-methylquinolin-2-one (PubChem CID 120809193) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-methylquinolin-2-one
PubChem CID120809193
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(C(=O)N2CCC(C)(CN)C2)c2ccccc21
InChIInChI=1S/C17H21N3O2/c1-17(10-18)7-8-20(11-17)16(22)13-9-15(21)19(2)14-6-4-3-5-12(13)14/h3-6,9H,7-8,10-11,18H2,1-2H3
InChIKeyGQAIDGKFDTZBTJ-UHFFFAOYSA-N
XLogP1.35
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258324
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one
CID 110694493
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzofuran-3-yl)methanone
CID 120808215
4-[(3S)-3-aminoazepane-1-carbonyl]-1-methylquinolin-2-one
CID 96574654
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone
CID 120804153
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 120804488
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone;hydrochloride
CID 120806998
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,3-difluorophenyl)methanone
CID 120805675
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-nitrophenyl)methanone;hydrochloride
CID 120804354
2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55759278
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-propan-2-yloxyphenyl)methanone
CID 120804729
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 120806462

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-methylquinolin-2-one?
The IUPAC name of 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-methylquinolin-2-one (CID 120809193) is 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-methylquinolin-2-one.
What is the SMILES notation for 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-methylquinolin-2-one?
The canonical SMILES for 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-methylquinolin-2-one is Cn1c(=O)cc(C(=O)N2CCC(C)(CN)C2)c2ccccc21.
What is the InChIKey of 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-methylquinolin-2-one?
The InChIKey is GQAIDGKFDTZBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-17(10-18)7-8-20(11-17)16(22)13-9-15(21)19(2)14-6-4-3-5-12(13)14/h3-6,9H,7-8,10-11,18H2,1-2H3.
What are the key properties of 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-methylquinolin-2-one?
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-methylquinolin-2-one has a molecular weight of 299.37 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-methylquinolin-2-one is sourced from PubChem (CID 120809193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).