(4S,4aS)-1-benzyl-4,4a,8-trimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one

C19H25NO — CID 10850573

IUPAC(4S,4aS)-1-benzyl-4,4a,8-trimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one
SMILESCC1=C2N(Cc3ccccc3)C(=O)C[C@H](C)[C@]2(C)CCC1
InChIInChI=1S/C19H25NO/c1-14-8-7-11-19(3)15(2)12-17(21)20(18(14)19)13-16-9-5-4-6-10-16/h4-6,9-10,15H,7-8,11-13H2,1-3H3/t15-,19-/m0/s1
InChIKeyZLNVGUQNCJDACV-KXBFYZLASA-N
MW283.41 g/mol
LogP4.52
Rot. Bonds2

About (4S,4aS)-1-benzyl-4,4a,8-trimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one

(4S,4aS)-1-benzyl-4,4a,8-trimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one (PubChem CID 10850573) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is (4S,4aS)-1-benzyl-4,4a,8-trimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one.

Molecular Properties

Compound Name(4S,4aS)-1-benzyl-4,4a,8-trimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one
PubChem CID10850573
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name(4S,4aS)-1-benzyl-4,4a,8-trimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one
SMILESCC1=C2N(Cc3ccccc3)C(=O)C[C@H](C)[C@]2(C)CCC1
InChIInChI=1S/C19H25NO/c1-14-8-7-11-19(3)15(2)12-17(21)20(18(14)19)13-16-9-5-4-6-10-16/h4-6,9-10,15H,7-8,11-13H2,1-3H3/t15-,19-/m0/s1
InChIKeyZLNVGUQNCJDACV-KXBFYZLASA-N
XLogP4.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4S,4aS)-1-benzyl-4,4a,8-trimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one with MolForge

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Related Compounds

(4R,4aS)-1-benzyl-4,4a-dimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one
CID 101093631
[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium
CID 7456285
6-benzyl-4a-methyl-2,3,4,7a-tetrahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 70812884
1-benzyl-3,3,4-trimethyl-4,5-dihydro-1-benzazepin-2-one
CID 102400070
3'-benzylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810140
(3R,4'R)-1-benzyl-4'-methylspiro[indole-3,5'-oxolane]-2,2'-dione
CID 132554346
(3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 785093
1-benzyl-3-(cyclohexylamino)pyrrolidine-2,5-dione
CID 155114952
1-benzyl-3-ethylsulfanylpyrrolidine-2,5-dione
CID 132966694
1-benzyl-2-methyl-5-oxopyrrolidine-2-carbonitrile
CID 117066612
(3aR,4R,7S,7aR)-2-benzyl-4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 124910195
(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 51620013

Frequently Asked Questions

What is the IUPAC name of (4S,4aS)-1-benzyl-4,4a,8-trimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one?
The IUPAC name of (4S,4aS)-1-benzyl-4,4a,8-trimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one (CID 10850573) is (4S,4aS)-1-benzyl-4,4a,8-trimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one.
What is the SMILES notation for (4S,4aS)-1-benzyl-4,4a,8-trimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one?
The canonical SMILES for (4S,4aS)-1-benzyl-4,4a,8-trimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one is CC1=C2N(Cc3ccccc3)C(=O)C[C@H](C)[C@]2(C)CCC1.
What is the InChIKey of (4S,4aS)-1-benzyl-4,4a,8-trimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one?
The InChIKey is ZLNVGUQNCJDACV-KXBFYZLASA-N. The full InChI is InChI=1S/C19H25NO/c1-14-8-7-11-19(3)15(2)12-17(21)20(18(14)19)13-16-9-5-4-6-10-16/h4-6,9-10,15H,7-8,11-13H2,1-3H3/t15-,19-/m0/s1.
What are the key properties of (4S,4aS)-1-benzyl-4,4a,8-trimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one?
(4S,4aS)-1-benzyl-4,4a,8-trimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one has a molecular weight of 283.41 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,4aS)-1-benzyl-4,4a,8-trimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one is sourced from PubChem (CID 10850573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).