7-(3-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

C30H29NO5 — CID 17062698

IUPAC7-(3-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCOc1cccc(C2CC(=O)C3=C(C2)NC(=O)CC3c2ccc(OCc3ccccc3)c(OC)c2)c1
InChIInChI=1S/C30H29NO5/c1-34-23-10-6-9-20(13-23)22-14-25-30(26(32)15-22)24(17-29(33)31-25)21-11-12-27(28(16-21)35-2)36-18-19-7-4-3-5-8-19/h3-13,16,22,24H,14-15,17-18H2,1-2H3,(H,31,33)
InChIKeyPJRGFQGLCNYCPZ-UHFFFAOYSA-N
MW483.56 g/mol
LogP5.29
Rot. Bonds7

About 7-(3-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

7-(3-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 17062698) has the molecular formula C30H29NO5 and a molecular weight of 483.56 g/mol. Its IUPAC name is 7-(3-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name7-(3-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID17062698
Molecular FormulaC30H29NO5
Molecular Weight483.56 g/mol
Exact Mass483.20
IUPAC Name7-(3-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCOc1cccc(C2CC(=O)C3=C(C2)NC(=O)CC3c2ccc(OCc3ccccc3)c(OC)c2)c1
InChIInChI=1S/C30H29NO5/c1-34-23-10-6-9-20(13-23)22-14-25-30(26(32)15-22)24(17-29(33)31-25)21-11-12-27(28(16-21)35-2)36-18-19-7-4-3-5-8-19/h3-13,16,22,24H,14-15,17-18H2,1-2H3,(H,31,33)
InChIKeyPJRGFQGLCNYCPZ-UHFFFAOYSA-N
XLogP5.29
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.56
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(3-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione with MolForge

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Related Compounds

4-(3-methoxy-4-phenylmethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17061843
(4R,7R)-7-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413591
7-(4-ethylphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17062059
4-(3-methoxy-4-phenylmethoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17063688
9-(3-methoxyphenyl)-6-(3-methoxy-4-phenylmethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 17064415
4-(3-methoxyphenyl)-7-(3-methoxy-4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17062341
(4S,7R)-4-(3,4-dimethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7444195
7-(4-ethoxy-3-methoxyphenyl)-4-(3-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17061170
7-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17062332
(4S,7R)-7-(2,5-dimethoxyphenyl)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413074
4-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 6485671
4-(2,4-dimethoxyphenyl)-7-(4-ethoxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17064803

Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 7-(3-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 17062698) is 7-(3-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 7-(3-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 7-(3-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is COc1cccc(C2CC(=O)C3=C(C2)NC(=O)CC3c2ccc(OCc3ccccc3)c(OC)c2)c1.
What is the InChIKey of 7-(3-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is PJRGFQGLCNYCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO5/c1-34-23-10-6-9-20(13-23)22-14-25-30(26(32)15-22)24(17-29(33)31-25)21-11-12-27(28(16-21)35-2)36-18-19-7-4-3-5-8-19/h3-13,16,22,24H,14-15,17-18H2,1-2H3,(H,31,33).
What are the key properties of 7-(3-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
7-(3-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 483.56 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 17062698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).