(4S,7R)-7-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

C24H25NO4 — CID 7414055

IUPAC(4S,7R)-7-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCOc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2C)c1
InChIInChI=1S/C24H25NO4/c1-14-6-4-5-7-17(14)19-13-23(27)25-20-10-15(11-21(26)24(19)20)18-12-16(28-2)8-9-22(18)29-3/h4-9,12,15,19H,10-11,13H2,1-3H3,(H,25,27)/t15-,19+/m1/s1
InChIKeyRTLZXXQPBAOOBT-BEFAXECRSA-N
MW391.47 g/mol
LogP4.02
Rot. Bonds4

About (4S,7R)-7-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

(4S,7R)-7-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 7414055) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is (4S,7R)-7-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name(4S,7R)-7-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID7414055
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name(4S,7R)-7-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCOc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2C)c1
InChIInChI=1S/C24H25NO4/c1-14-6-4-5-7-17(14)19-13-23(27)25-20-10-15(11-21(26)24(19)20)18-12-16(28-2)8-9-22(18)29-3/h4-9,12,15,19H,10-11,13H2,1-3H3,(H,25,27)/t15-,19+/m1/s1
InChIKeyRTLZXXQPBAOOBT-BEFAXECRSA-N
XLogP4.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,7S)-7-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7414062
(4S,7R)-7-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413057
(4S,7R)-7-(2,5-dimethoxyphenyl)-4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7443701
(4S,7S)-4-(2,3-dimethoxyphenyl)-7-(2,5-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 41123536
(4S,7S)-7-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7414034
(4S,7R)-7-(2,5-dimethoxyphenyl)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413074
(4S,7S)-7-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7414041
(4S,7R)-7-(2,5-dimethoxyphenyl)-4-(4-propoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 41123647
(4S,7R)-7-(2-chlorophenyl)-4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645102
(4S,7S)-7-(2-chlorophenyl)-4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645080
4-(2,4-dimethoxyphenyl)-7-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17063265
(4S,7R)-4-(2,3-dimethoxyphenyl)-7-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7443651

Frequently Asked Questions

What is the IUPAC name of (4S,7R)-7-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of (4S,7R)-7-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 7414055) is (4S,7R)-7-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for (4S,7R)-7-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for (4S,7R)-7-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2C)c1.
What is the InChIKey of (4S,7R)-7-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is RTLZXXQPBAOOBT-BEFAXECRSA-N. The full InChI is InChI=1S/C24H25NO4/c1-14-6-4-5-7-17(14)19-13-23(27)25-20-10-15(11-21(26)24(19)20)18-12-16(28-2)8-9-22(18)29-3/h4-9,12,15,19H,10-11,13H2,1-3H3,(H,25,27)/t15-,19+/m1/s1.
What are the key properties of (4S,7R)-7-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
(4S,7R)-7-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 391.47 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7R)-7-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 7414055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).