7-[(1-benzylpyrrolidin-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one

C20H23N3O — CID 84591356

IUPAC7-[(1-benzylpyrrolidin-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(NC3CCN(Cc4ccccc4)C3)cc2N1
InChIInChI=1S/C20H23N3O/c24-20-9-7-16-6-8-17(12-19(16)22-20)21-18-10-11-23(14-18)13-15-4-2-1-3-5-15/h1-6,8,12,18,21H,7,9-11,13-14H2,(H,22,24)
InChIKeyGTVXBBTUKYSJST-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.26
Rot. Bonds4

About 7-[(1-benzylpyrrolidin-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one

7-[(1-benzylpyrrolidin-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 84591356) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 7-[(1-benzylpyrrolidin-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[(1-benzylpyrrolidin-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID84591356
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name7-[(1-benzylpyrrolidin-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(NC3CCN(Cc4ccccc4)C3)cc2N1
InChIInChI=1S/C20H23N3O/c24-20-9-7-16-6-8-17(12-19(16)22-20)21-18-10-11-23(14-18)13-15-4-2-1-3-5-15/h1-6,8,12,18,21H,7,9-11,13-14H2,(H,22,24)
InChIKeyGTVXBBTUKYSJST-UHFFFAOYSA-N
XLogP3.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2H-isoquinolin-1-one
CID 59290709
(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 29080908
1-benzyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide
CID 70048298
1-benzyl-N-(3-bromo-4-fluorophenyl)pyrrolidin-3-amine
CID 104776249
1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine
CID 43150672
2-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 141265536
3-chloro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 45255793
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
3-chloro-5-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 45256359
(4S)-4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 98800328
6-[[(3R)-1-benzylpiperidin-3-yl]amino]-2H-isoquinolin-1-one
CID 59290566
1-benzyl-N-(1-bicyclo[1.1.1]pentanyl)pyrrolidin-3-amine
CID 167503574

Frequently Asked Questions

What is the IUPAC name of 7-[(1-benzylpyrrolidin-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[(1-benzylpyrrolidin-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 84591356) is 7-[(1-benzylpyrrolidin-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[(1-benzylpyrrolidin-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[(1-benzylpyrrolidin-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(NC3CCN(Cc4ccccc4)C3)cc2N1.
What is the InChIKey of 7-[(1-benzylpyrrolidin-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is GTVXBBTUKYSJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-20-9-7-16-6-8-17(12-19(16)22-20)21-18-10-11-23(14-18)13-15-4-2-1-3-5-15/h1-6,8,12,18,21H,7,9-11,13-14H2,(H,22,24).
What are the key properties of 7-[(1-benzylpyrrolidin-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
7-[(1-benzylpyrrolidin-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 321.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-benzylpyrrolidin-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 84591356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).