3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one

C17H23N3O2 — CID 119632117

IUPAC3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
SMILESNCC1CCCN1C(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C17H23N3O2/c18-11-14-5-3-9-20(14)16(21)8-7-13-10-12-4-1-2-6-15(12)19-17(13)22/h1-2,4,6,13-14H,3,5,7-11,18H2,(H,19,22)
InChIKeyOWQGKRULWMKNCR-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.53
Rot. Bonds4

About 3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one

3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 119632117) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID119632117
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
SMILESNCC1CCCN1C(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C17H23N3O2/c18-11-14-5-3-9-20(14)16(21)8-7-13-10-12-4-1-2-6-15(12)19-17(13)22/h1-2,4,6,13-14H,3,5,7-11,18H2,(H,19,22)
InChIKeyOWQGKRULWMKNCR-UHFFFAOYSA-N
XLogP1.53
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[3-oxo-3-[(2S)-2-[(1S)-2-oxocyclohexyl]azepan-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
CID 124732266
3-[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 47048605
(3S)-3-[3-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 100903723
(3S)-3-[3-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 100903721
3-[3-[2-(3-bromophenyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 55890358
[2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate
CID 166220502
(3S)-2-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125132973
3-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 56817723
(3S)-1-[3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]pyrrolidine-3-carboxylic acid
CID 124703211
cyclohexyl 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate
CID 31038327
(3S)-3-[3-[(2S)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 97306526
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione;hydrochloride
CID 119633446

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one (CID 119632117) is 3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one is NCC1CCCN1C(=O)CCC1Cc2ccccc2NC1=O.
What is the InChIKey of 3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is OWQGKRULWMKNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c18-11-14-5-3-9-20(14)16(21)8-7-13-10-12-4-1-2-6-15(12)19-17(13)22/h1-2,4,6,13-14H,3,5,7-11,18H2,(H,19,22).
What are the key properties of 3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 301.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 119632117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).