(7-carbamoyl-1H-indol-3-yl) 4-methoxybenzoate

C17H14N2O4 — CID 67635886

IUPAC(7-carbamoyl-1H-indol-3-yl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2c[nH]c3c(C(N)=O)cccc23)cc1
InChIInChI=1S/C17H14N2O4/c1-22-11-7-5-10(6-8-11)17(21)23-14-9-19-15-12(14)3-2-4-13(15)16(18)20/h2-9,19H,1H3,(H2,18,20)
InChIKeyYMJYQUFKDJMEEB-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.49
Rot. Bonds4

About (7-carbamoyl-1H-indol-3-yl) 4-methoxybenzoate

(7-carbamoyl-1H-indol-3-yl) 4-methoxybenzoate (PubChem CID 67635886) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is (7-carbamoyl-1H-indol-3-yl) 4-methoxybenzoate.

Molecular Properties

Compound Name(7-carbamoyl-1H-indol-3-yl) 4-methoxybenzoate
PubChem CID67635886
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name(7-carbamoyl-1H-indol-3-yl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2c[nH]c3c(C(N)=O)cccc23)cc1
InChIInChI=1S/C17H14N2O4/c1-22-11-7-5-10(6-8-11)17(21)23-14-9-19-15-12(14)3-2-4-13(15)16(18)20/h2-9,19H,1H3,(H2,18,20)
InChIKeyYMJYQUFKDJMEEB-UHFFFAOYSA-N
XLogP2.49
TPSA94.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxybenzoyl) 3-carbamoyl-1H-indole-7-carboxylate
CID 175235931
bis(7-carbamoyl-1H-indol-3-yl) 2,3-dihydroxybutanedioate
CID 67634758
3-[(4-methoxyphenyl)methoxy]-N-methyl-4-oxo-1H-quinoline-8-carboxamide
CID 126503888
(7-methoxy-1H-indol-3-yl) 2-amino-3,5-dimethylbenzoate
CID 67779856
(2-carbamoyl-5-methoxyphenyl) 3,4,5-trimethoxybenzoate
CID 18084445
(7-hydroxy-1H-indol-3-yl) acetate
CID 174769311
(7-bromo-1H-indol-3-yl) carbamate
CID 175391103
(1-formylnaphthalen-2-yl) 4-methoxybenzoate
CID 4778907
[3-[2-(methylamino)ethyl]-1H-indol-4-yl] 4-methoxybenzoate
CID 170218830
[4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 144750223
diphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate
CID 144750320
1H-indol-7-yl-(4-methoxyphenyl)methanone
CID 141393759

Frequently Asked Questions

What is the IUPAC name of (7-carbamoyl-1H-indol-3-yl) 4-methoxybenzoate?
The IUPAC name of (7-carbamoyl-1H-indol-3-yl) 4-methoxybenzoate (CID 67635886) is (7-carbamoyl-1H-indol-3-yl) 4-methoxybenzoate.
What is the SMILES notation for (7-carbamoyl-1H-indol-3-yl) 4-methoxybenzoate?
The canonical SMILES for (7-carbamoyl-1H-indol-3-yl) 4-methoxybenzoate is COc1ccc(C(=O)Oc2c[nH]c3c(C(N)=O)cccc23)cc1.
What is the InChIKey of (7-carbamoyl-1H-indol-3-yl) 4-methoxybenzoate?
The InChIKey is YMJYQUFKDJMEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-22-11-7-5-10(6-8-11)17(21)23-14-9-19-15-12(14)3-2-4-13(15)16(18)20/h2-9,19H,1H3,(H2,18,20).
What are the key properties of (7-carbamoyl-1H-indol-3-yl) 4-methoxybenzoate?
(7-carbamoyl-1H-indol-3-yl) 4-methoxybenzoate has a molecular weight of 310.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-carbamoyl-1H-indol-3-yl) 4-methoxybenzoate is sourced from PubChem (CID 67635886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).