(3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one

C17H17NO — CID 71351349

IUPAC(3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one
SMILESC[C@H]1Cc2ccccc2N(Cc2ccccc2)C1=O
InChIInChI=1S/C17H17NO/c1-13-11-15-9-5-6-10-16(15)18(17(13)19)12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3/t13-/m0/s1
InChIKeyUJLXYVAINYAPOO-ZDUSSCGKSA-N
MW251.33 g/mol
LogP3.41
Rot. Bonds2

About (3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one

(3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one (PubChem CID 71351349) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one
PubChem CID71351349
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one
SMILESC[C@H]1Cc2ccccc2N(Cc2ccccc2)C1=O
InChIInChI=1S/C17H17NO/c1-13-11-15-9-5-6-10-16(15)18(17(13)19)12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3/t13-/m0/s1
InChIKeyUJLXYVAINYAPOO-ZDUSSCGKSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one
CID 178034232
1-benzyl-3,3,4-trimethyl-4,5-dihydro-1-benzazepin-2-one
CID 102400070
1-(1-benzyl-3-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-tert-butylurea
CID 170748563
5-benzyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4-one
CID 13342088
1-benzyl-3-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one
CID 56977187
1-[(4-fluorophenyl)methyl]-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 65365317
1-benzyl-4H-3,1-benzoxazin-2-one
CID 902529
1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 82083873
1-ethyl-3-methyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 58862212
5-[(4-chlorophenyl)methyl]-3-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 20896309
5-benzyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 16653478
1-benzyl-3-methoxy-3H-indol-2-one
CID 134908410

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of (3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one (CID 71351349) is (3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one is C[C@H]1Cc2ccccc2N(Cc2ccccc2)C1=O.
What is the InChIKey of (3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is UJLXYVAINYAPOO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17NO/c1-13-11-15-9-5-6-10-16(15)18(17(13)19)12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one?
(3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 251.33 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 71351349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).