(4S)-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

C25H27NO5 — CID 7426529

IUPAC(4S)-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCOc1cc([C@@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CCC3)cc(OC)c1OC
InChIInChI=1S/C25H27NO5/c1-15-8-10-17(11-9-15)26-19-6-5-7-20(27)24(19)18(14-23(26)28)16-12-21(29-2)25(31-4)22(13-16)30-3/h8-13,18H,5-7,14H2,1-4H3/t18-/m0/s1
InChIKeyVJMAXHWYXBJFFG-SFHVURJKSA-N
MW421.49 g/mol
LogP4.55
Rot. Bonds5

About (4S)-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

(4S)-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 7426529) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is (4S)-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name(4S)-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID7426529
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name(4S)-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCOc1cc([C@@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CCC3)cc(OC)c1OC
InChIInChI=1S/C25H27NO5/c1-15-8-10-17(11-9-15)26-19-6-5-7-20(27)24(19)18(14-23(26)28)16-12-21(29-2)25(31-4)22(13-16)30-3/h8-13,18H,5-7,14H2,1-4H3/t18-/m0/s1
InChIKeyVJMAXHWYXBJFFG-SFHVURJKSA-N
XLogP4.55
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione with MolForge

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Related Compounds

N-[4-[4-(4-methylphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]phenyl]acetamide
CID 23887284
1-(2,5-dimethylphenyl)-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23773184
4-(2,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 6496703
1-(3,5-dimethoxyphenyl)-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23887278
4-(2,3-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 6496691
(4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7426306
(4S)-4-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 7426511
1-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23802309
4-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-1-(4-methoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 71591822
4-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide
CID 25039684
(4R)-2-amino-1-(3-methylphenyl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1035518
4-(2-chlorophenyl)-1-(4-methoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23831055

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of (4S)-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 7426529) is (4S)-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for (4S)-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for (4S)-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is COc1cc([C@@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CCC3)cc(OC)c1OC.
What is the InChIKey of (4S)-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is VJMAXHWYXBJFFG-SFHVURJKSA-N. The full InChI is InChI=1S/C25H27NO5/c1-15-8-10-17(11-9-15)26-19-6-5-7-20(27)24(19)18(14-23(26)28)16-12-21(29-2)25(31-4)22(13-16)30-3/h8-13,18H,5-7,14H2,1-4H3/t18-/m0/s1.
What are the key properties of (4S)-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
(4S)-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 421.49 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 7426529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).