6-acetamido-4-(4-methoxyanilino)-1H-indole-2-carboxylic acid

C18H17N3O4 — CID 162659106

IUPAC6-acetamido-4-(4-methoxyanilino)-1H-indole-2-carboxylic acid
SMILESCOc1ccc(Nc2cc(NC(C)=O)cc3[nH]c(C(=O)O)cc23)cc1
InChIInChI=1S/C18H17N3O4/c1-10(22)19-12-7-15(20-11-3-5-13(25-2)6-4-11)14-9-17(18(23)24)21-16(14)8-12/h3-9,20-21H,1-2H3,(H,19,22)(H,23,24)
InChIKeySXXWIJHMPKKRQO-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.58
Rot. Bonds5

About 6-acetamido-4-(4-methoxyanilino)-1H-indole-2-carboxylic acid

6-acetamido-4-(4-methoxyanilino)-1H-indole-2-carboxylic acid (PubChem CID 162659106) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 6-acetamido-4-(4-methoxyanilino)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-acetamido-4-(4-methoxyanilino)-1H-indole-2-carboxylic acid
PubChem CID162659106
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name6-acetamido-4-(4-methoxyanilino)-1H-indole-2-carboxylic acid
SMILESCOc1ccc(Nc2cc(NC(C)=O)cc3[nH]c(C(=O)O)cc23)cc1
InChIInChI=1S/C18H17N3O4/c1-10(22)19-12-7-15(20-11-3-5-13(25-2)6-4-11)14-9-17(18(23)24)21-16(14)8-12/h3-9,20-21H,1-2H3,(H,19,22)(H,23,24)
InChIKeySXXWIJHMPKKRQO-UHFFFAOYSA-N
XLogP3.58
TPSA103.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-acetamido-4-[4-(trifluoromethoxy)anilino]-1H-indole-2-carboxylate
CID 165179871
N-[4-(4-methoxyanilino)-9H-pyrido[2,3-b]indol-7-yl]acetamide
CID 169079774
2,5-bis(4-methoxyanilino)terephthalic acid
CID 3084837
N-(5-acetamido-2-methoxyphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46445599
ethyl 6-acetamido-4-(4-fluoro-3-propoxyanilino)-1H-indole-2-carboxylate
CID 165179973
N-(5-acetamido-2-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide
CID 33379841
4-[(7-acetamido-9H-pyrido[2,3-b]indol-4-yl)amino]benzoic acid
CID 169079762
6-methoxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 22508913
5-[3-(4-methoxyphenyl)prop-2-enoylamino]-1H-indole-2-carboxylic acid
CID 155026003
4-methoxy-5-methyl-1H-indole-2-carboxylic acid
CID 4262975
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
5-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid
CID 71451934

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-4-(4-methoxyanilino)-1H-indole-2-carboxylic acid?
The IUPAC name of 6-acetamido-4-(4-methoxyanilino)-1H-indole-2-carboxylic acid (CID 162659106) is 6-acetamido-4-(4-methoxyanilino)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-acetamido-4-(4-methoxyanilino)-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-acetamido-4-(4-methoxyanilino)-1H-indole-2-carboxylic acid is COc1ccc(Nc2cc(NC(C)=O)cc3[nH]c(C(=O)O)cc23)cc1.
What is the InChIKey of 6-acetamido-4-(4-methoxyanilino)-1H-indole-2-carboxylic acid?
The InChIKey is SXXWIJHMPKKRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-10(22)19-12-7-15(20-11-3-5-13(25-2)6-4-11)14-9-17(18(23)24)21-16(14)8-12/h3-9,20-21H,1-2H3,(H,19,22)(H,23,24).
What are the key properties of 6-acetamido-4-(4-methoxyanilino)-1H-indole-2-carboxylic acid?
6-acetamido-4-(4-methoxyanilino)-1H-indole-2-carboxylic acid has a molecular weight of 339.35 g/mol, XLogP of 3.58, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-4-(4-methoxyanilino)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 162659106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).