(3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one

C16H16N2O — CID 178034232

IUPAC(3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one
SMILESN[C@@H]1Cc2ccccc2N(Cc2ccccc2)C1=O
InChIInChI=1S/C16H16N2O/c17-14-10-13-8-4-5-9-15(13)18(16(14)19)11-12-6-2-1-3-7-12/h1-9,14H,10-11,17H2/t14-/m1/s1
InChIKeySGHRUTLHQVACAJ-CQSZACIVSA-N
MW252.32 g/mol
LogP2.10
Rot. Bonds2

About (3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one

(3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one (PubChem CID 178034232) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one
PubChem CID178034232
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one
SMILESN[C@@H]1Cc2ccccc2N(Cc2ccccc2)C1=O
InChIInChI=1S/C16H16N2O/c17-14-10-13-8-4-5-9-15(13)18(16(14)19)11-12-6-2-1-3-7-12/h1-9,14H,10-11,17H2/t14-/m1/s1
InChIKeySGHRUTLHQVACAJ-CQSZACIVSA-N
XLogP2.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one
CID 71351349
2-(3-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N,N-dimethylacetamide
CID 68898482
3-amino-1-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 21478504
(3S)-3-amino-1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-3,4-dihydroquinolin-2-one
CID 129384424
1-benzyl-3,3,4-trimethyl-4,5-dihydro-1-benzazepin-2-one
CID 102400070
(3R)-3-amino-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride
CID 69196199
5-benzyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4-one
CID 13342088
(3R)-3-amino-1-[(3-chlorophenyl)methyl]-7-methylsulfonyl-3,4-dihydroquinolin-2-one
CID 178034373
3-amino-1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one
CID 68901424
CID 142801731
CID 142801731
1-benzyl-4H-3,1-benzoxazin-2-one
CID 902529
3-amino-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,4-dihydroquinolin-2-one
CID 58721822

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one?
The IUPAC name of (3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one (CID 178034232) is (3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one is N[C@@H]1Cc2ccccc2N(Cc2ccccc2)C1=O.
What is the InChIKey of (3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one?
The InChIKey is SGHRUTLHQVACAJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16N2O/c17-14-10-13-8-4-5-9-15(13)18(16(14)19)11-12-6-2-1-3-7-12/h1-9,14H,10-11,17H2/t14-/m1/s1.
What are the key properties of (3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one?
(3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one has a molecular weight of 252.32 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 178034232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).