(4S)-4-(4-methoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione

C19H23NO3 — CID 7039380

IUPAC(4S)-4-(4-methoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCOc1ccc([C@@H]2CC(=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C19H23NO3/c1-19(2)10-15-18(16(21)11-19)14(9-17(22)20(15)3)12-5-7-13(23-4)8-6-12/h5-8,14H,9-11H2,1-4H3/t14-/m0/s1
InChIKeyLSJKYVWSRMPMMF-AWEZNQCLSA-N
MW313.40 g/mol
LogP3.28
Rot. Bonds2

About (4S)-4-(4-methoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione

(4S)-4-(4-methoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione (PubChem CID 7039380) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (4S)-4-(4-methoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name(4S)-4-(4-methoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
PubChem CID7039380
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(4S)-4-(4-methoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCOc1ccc([C@@H]2CC(=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C19H23NO3/c1-19(2)10-15-18(16(21)11-19)14(9-17(22)20(15)3)12-5-7-13(23-4)8-6-12/h5-8,14H,9-11H2,1-4H3/t14-/m0/s1
InChIKeyLSJKYVWSRMPMMF-AWEZNQCLSA-N
XLogP3.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1,7,7-trimethyl-4-(4-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 2252429
1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773203
1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773222
1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773223
(4S)-4-(4-hydroxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 26458714
(4S)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426455
(4R)-1-(2,4-difluorophenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1266716
4-[4-(diethylamino)phenyl]-1-(4-ethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23859508
7,7-dimethyl-1-naphthalen-2-yl-4-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773213
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496581
10-(2-chlorophenyl)-9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 42645874
6-(4-methoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione
CID 3576556

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-methoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of (4S)-4-(4-methoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione (CID 7039380) is (4S)-4-(4-methoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for (4S)-4-(4-methoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for (4S)-4-(4-methoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione is COc1ccc([C@@H]2CC(=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of (4S)-4-(4-methoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The InChIKey is LSJKYVWSRMPMMF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23NO3/c1-19(2)10-15-18(16(21)11-19)14(9-17(22)20(15)3)12-5-7-13(23-4)8-6-12/h5-8,14H,9-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (4S)-4-(4-methoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
(4S)-4-(4-methoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione has a molecular weight of 313.40 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-methoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 7039380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).