[4-methoxy-3-(4-methoxybenzoyl)-1H-indol-5-yl]-(4-methoxyphenyl)methanone

C25H21NO5 — CID 155551268

IUPAC[4-methoxy-3-(4-methoxybenzoyl)-1H-indol-5-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc3[nH]cc(C(=O)c4ccc(OC)cc4)c3c2OC)cc1
InChIInChI=1S/C25H21NO5/c1-29-17-8-4-15(5-9-17)23(27)19-12-13-21-22(25(19)31-3)20(14-26-21)24(28)16-6-10-18(30-2)11-7-16/h4-14,26H,1-3H3
InChIKeyRSFXWADPGFIICP-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.66
Rot. Bonds7

About [4-methoxy-3-(4-methoxybenzoyl)-1H-indol-5-yl]-(4-methoxyphenyl)methanone

[4-methoxy-3-(4-methoxybenzoyl)-1H-indol-5-yl]-(4-methoxyphenyl)methanone (PubChem CID 155551268) has the molecular formula C25H21NO5 and a molecular weight of 415.45 g/mol. Its IUPAC name is [4-methoxy-3-(4-methoxybenzoyl)-1H-indol-5-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-methoxy-3-(4-methoxybenzoyl)-1H-indol-5-yl]-(4-methoxyphenyl)methanone
PubChem CID155551268
Molecular FormulaC25H21NO5
Molecular Weight415.45 g/mol
Exact Mass415.14
IUPAC Name[4-methoxy-3-(4-methoxybenzoyl)-1H-indol-5-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc3[nH]cc(C(=O)c4ccc(OC)cc4)c3c2OC)cc1
InChIInChI=1S/C25H21NO5/c1-29-17-8-4-15(5-9-17)23(27)19-12-13-21-22(25(19)31-3)20(14-26-21)24(28)16-6-10-18(30-2)11-7-16/h4-14,26H,1-3H3
InChIKeyRSFXWADPGFIICP-UHFFFAOYSA-N
XLogP4.66
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Jwh 081
CID 10547208
Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
Bpr-0L075
CID 10359957
Methanone, (2-methoxy-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)-
CID 11268746
4-(benzyloxy)-1H-indole-3-carbaldehyde
CID 7015846
6-Methoxy-1H-indole-3-carboxaldehyde
CID 907214
(6-hydroxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 10449104
Clausine L
CID 24898872
1-(4-benzoylpiperazin-1-yl)-2-[7-(2-furyl)-4-methoxy-1H-indol-3-yl]ethane-1,2-dione
CID 507825
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-methoxy-N-methyl-1H-indole-7-carboxamide
CID 507967
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-methoxy-1H-indole-7-carboxamide
CID 507980
(3,5-Dimethoxy-phenyl)-(6-methoxy-1H-indol-3-yl)-methanone
CID 11162707

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-(4-methoxybenzoyl)-1H-indol-5-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-methoxy-3-(4-methoxybenzoyl)-1H-indol-5-yl]-(4-methoxyphenyl)methanone (CID 155551268) is [4-methoxy-3-(4-methoxybenzoyl)-1H-indol-5-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-methoxy-3-(4-methoxybenzoyl)-1H-indol-5-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-methoxy-3-(4-methoxybenzoyl)-1H-indol-5-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ccc3[nH]cc(C(=O)c4ccc(OC)cc4)c3c2OC)cc1.
What is the InChIKey of [4-methoxy-3-(4-methoxybenzoyl)-1H-indol-5-yl]-(4-methoxyphenyl)methanone?
The InChIKey is RSFXWADPGFIICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO5/c1-29-17-8-4-15(5-9-17)23(27)19-12-13-21-22(25(19)31-3)20(14-26-21)24(28)16-6-10-18(30-2)11-7-16/h4-14,26H,1-3H3.
What are the key properties of [4-methoxy-3-(4-methoxybenzoyl)-1H-indol-5-yl]-(4-methoxyphenyl)methanone?
[4-methoxy-3-(4-methoxybenzoyl)-1H-indol-5-yl]-(4-methoxyphenyl)methanone has a molecular weight of 415.45 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-(4-methoxybenzoyl)-1H-indol-5-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 155551268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).