8-amino-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one

C14H19N3O2 — CID 68704538

IUPAC8-amino-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cccc2c1NC(=O)C(N1CCC[C@H]1CO)C2
InChIInChI=1S/C14H19N3O2/c15-11-5-1-3-9-7-12(14(19)16-13(9)11)17-6-2-4-10(17)8-18/h1,3,5,10,12,18H,2,4,6-8,15H2,(H,16,19)/t10-,12?/m0/s1
InChIKeyWFRVWXXTASDATK-NUHJPDEHSA-N
MW261.32 g/mol
LogP0.59
Rot. Bonds2

About 8-amino-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one

8-amino-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 68704538) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 8-amino-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-amino-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID68704538
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name8-amino-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cccc2c1NC(=O)C(N1CCC[C@H]1CO)C2
InChIInChI=1S/C14H19N3O2/c15-11-5-1-3-9-7-12(14(19)16-13(9)11)17-6-2-4-10(17)8-18/h1,3,5,10,12,18H,2,4,6-8,15H2,(H,16,19)/t10-,12?/m0/s1
InChIKeyWFRVWXXTASDATK-NUHJPDEHSA-N
XLogP0.59
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-N'-{11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}ethanediamide
CID 16823143
2-[bis(2-hydroxyethyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide;hydrochloride
CID 70682570
1'-(2-Hydroxyethyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one
CID 118739171
Sdccgsbi-0662790.P001
CID 134787839
[(2S)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 61149170
2,3-dihydro-1H-indol-2-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 76893495
3-{3-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}-1,2,3,4-tetrahydroquinolin-2-one
CID 132289705
8-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 68704728
6-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 68710207
3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 141209093
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[(2S,3R)-3-hydroxypyrrolidin-2-yl]methanone
CID 176096298
8-morpholin-4-yl-3,4-dihydro-1H-quinolin-2-one
CID 138985196

Frequently Asked Questions

What is the IUPAC name of 8-amino-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-amino-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one (CID 68704538) is 8-amino-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-amino-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-amino-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one is Nc1cccc2c1NC(=O)C(N1CCC[C@H]1CO)C2.
What is the InChIKey of 8-amino-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WFRVWXXTASDATK-NUHJPDEHSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-11-5-1-3-9-7-12(14(19)16-13(9)11)17-6-2-4-10(17)8-18/h1,3,5,10,12,18H,2,4,6-8,15H2,(H,16,19)/t10-,12?/m0/s1.
What are the key properties of 8-amino-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
8-amino-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 261.32 g/mol, XLogP of 0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 68704538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).