4-(3-ethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

C23H23NO3 — CID 17064459

IUPAC4-(3-ethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCCOc1cccc(C2CC(=O)NC3=C2C(=O)CC(c2ccccc2)C3)c1
InChIInChI=1S/C23H23NO3/c1-2-27-18-10-6-9-16(11-18)19-14-22(26)24-20-12-17(13-21(25)23(19)20)15-7-4-3-5-8-15/h3-11,17,19H,2,12-14H2,1H3,(H,24,26)
InChIKeyPOGWRQXFEFMVCV-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.09
Rot. Bonds4

About 4-(3-ethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

4-(3-ethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 17064459) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-(3-ethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(3-ethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID17064459
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name4-(3-ethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCCOc1cccc(C2CC(=O)NC3=C2C(=O)CC(c2ccccc2)C3)c1
InChIInChI=1S/C23H23NO3/c1-2-27-18-10-6-9-16(11-18)19-14-22(26)24-20-12-17(13-21(25)23(19)20)15-7-4-3-5-8-15/h3-11,17,19H,2,12-14H2,1H3,(H,24,26)
InChIKeyPOGWRQXFEFMVCV-UHFFFAOYSA-N
XLogP4.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-ethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione with MolForge

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Related Compounds

4-(3-ethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17062111
(4R,7R)-4-(3-ethoxyphenyl)-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413955
4-(3-ethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 2997436
7-(4-tert-butylphenyl)-4-(3-phenoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17065185
(4R,7S)-4,7-diphenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 872442
7-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17062174
(4S,7R)-4-(3,4-dimethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7444195
7-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17062332
7-(3-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17062698
4-naphthalen-2-yl-7-(4-propoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17064929
(4R,7R)-7-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413591
(4S,7R)-7-(4-methoxyphenyl)-4-(3-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645201

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 4-(3-ethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 17064459) is 4-(3-ethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(3-ethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 4-(3-ethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is CCOc1cccc(C2CC(=O)NC3=C2C(=O)CC(c2ccccc2)C3)c1.
What is the InChIKey of 4-(3-ethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is POGWRQXFEFMVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-2-27-18-10-6-9-16(11-18)19-14-22(26)24-20-12-17(13-21(25)23(19)20)15-7-4-3-5-8-15/h3-11,17,19H,2,12-14H2,1H3,(H,24,26).
What are the key properties of 4-(3-ethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
4-(3-ethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 361.44 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 17064459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).