2-[6-(4-methoxyanilino)-2-(morpholine-4-carbonyl)indol-1-yl]-1-(4-methoxyphenyl)ethanone

C29H29N3O5 — CID 165179773

IUPAC2-[6-(4-methoxyanilino)-2-(morpholine-4-carbonyl)indol-1-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(Nc2ccc3cc(C(=O)N4CCOCC4)n(CC(=O)c4ccc(OC)cc4)c3c2)cc1
InChIInChI=1S/C29H29N3O5/c1-35-24-9-4-20(5-10-24)28(33)19-32-26-18-23(30-22-7-11-25(36-2)12-8-22)6-3-21(26)17-27(32)29(34)31-13-15-37-16-14-31/h3-12,17-18,30H,13-16,19H2,1-2H3
InChIKeyAWMIKWWECHFYNZ-UHFFFAOYSA-N
MW499.57 g/mol
LogP4.76
Rot. Bonds8

About 2-[6-(4-methoxyanilino)-2-(morpholine-4-carbonyl)indol-1-yl]-1-(4-methoxyphenyl)ethanone

2-[6-(4-methoxyanilino)-2-(morpholine-4-carbonyl)indol-1-yl]-1-(4-methoxyphenyl)ethanone (PubChem CID 165179773) has the molecular formula C29H29N3O5 and a molecular weight of 499.57 g/mol. Its IUPAC name is 2-[6-(4-methoxyanilino)-2-(morpholine-4-carbonyl)indol-1-yl]-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[6-(4-methoxyanilino)-2-(morpholine-4-carbonyl)indol-1-yl]-1-(4-methoxyphenyl)ethanone
PubChem CID165179773
Molecular FormulaC29H29N3O5
Molecular Weight499.57 g/mol
Exact Mass499.21
IUPAC Name2-[6-(4-methoxyanilino)-2-(morpholine-4-carbonyl)indol-1-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(Nc2ccc3cc(C(=O)N4CCOCC4)n(CC(=O)c4ccc(OC)cc4)c3c2)cc1
InChIInChI=1S/C29H29N3O5/c1-35-24-9-4-20(5-10-24)28(33)19-32-26-18-23(30-22-7-11-25(36-2)12-8-22)6-3-21(26)17-27(32)29(34)31-13-15-37-16-14-31/h3-12,17-18,30H,13-16,19H2,1-2H3
InChIKeyAWMIKWWECHFYNZ-UHFFFAOYSA-N
XLogP4.76
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methoxyanilino)-2-(morpholine-4-carbonyl)indol-1-yl]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[6-(4-methoxyanilino)-2-(morpholine-4-carbonyl)indol-1-yl]-1-(4-methoxyphenyl)ethanone (CID 165179773) is 2-[6-(4-methoxyanilino)-2-(morpholine-4-carbonyl)indol-1-yl]-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[6-(4-methoxyanilino)-2-(morpholine-4-carbonyl)indol-1-yl]-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[6-(4-methoxyanilino)-2-(morpholine-4-carbonyl)indol-1-yl]-1-(4-methoxyphenyl)ethanone is COc1ccc(Nc2ccc3cc(C(=O)N4CCOCC4)n(CC(=O)c4ccc(OC)cc4)c3c2)cc1.
What is the InChIKey of 2-[6-(4-methoxyanilino)-2-(morpholine-4-carbonyl)indol-1-yl]-1-(4-methoxyphenyl)ethanone?
The InChIKey is AWMIKWWECHFYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O5/c1-35-24-9-4-20(5-10-24)28(33)19-32-26-18-23(30-22-7-11-25(36-2)12-8-22)6-3-21(26)17-27(32)29(34)31-13-15-37-16-14-31/h3-12,17-18,30H,13-16,19H2,1-2H3.
What are the key properties of 2-[6-(4-methoxyanilino)-2-(morpholine-4-carbonyl)indol-1-yl]-1-(4-methoxyphenyl)ethanone?
2-[6-(4-methoxyanilino)-2-(morpholine-4-carbonyl)indol-1-yl]-1-(4-methoxyphenyl)ethanone has a molecular weight of 499.57 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methoxyanilino)-2-(morpholine-4-carbonyl)indol-1-yl]-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 165179773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).