(4-methoxybenzoyl) 3-carbamoyl-1H-indole-7-carboxylate

C18H14N2O5 — CID 175235931

IUPAC(4-methoxybenzoyl) 3-carbamoyl-1H-indole-7-carboxylate
SMILESCOc1ccc(C(=O)OC(=O)c2cccc3c(C(N)=O)c[nH]c23)cc1
InChIInChI=1S/C18H14N2O5/c1-24-11-7-5-10(6-8-11)17(22)25-18(23)13-4-2-3-12-14(16(19)21)9-20-15(12)13/h2-9,20H,1H3,(H2,19,21)
InChIKeyWFMXLBFESIVKCO-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.27
Rot. Bonds4

About (4-methoxybenzoyl) 3-carbamoyl-1H-indole-7-carboxylate

(4-methoxybenzoyl) 3-carbamoyl-1H-indole-7-carboxylate (PubChem CID 175235931) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is (4-methoxybenzoyl) 3-carbamoyl-1H-indole-7-carboxylate.

Molecular Properties

Compound Name(4-methoxybenzoyl) 3-carbamoyl-1H-indole-7-carboxylate
PubChem CID175235931
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC Name(4-methoxybenzoyl) 3-carbamoyl-1H-indole-7-carboxylate
SMILESCOc1ccc(C(=O)OC(=O)c2cccc3c(C(N)=O)c[nH]c23)cc1
InChIInChI=1S/C18H14N2O5/c1-24-11-7-5-10(6-8-11)17(22)25-18(23)13-4-2-3-12-14(16(19)21)9-20-15(12)13/h2-9,20H,1H3,(H2,19,21)
InChIKeyWFMXLBFESIVKCO-UHFFFAOYSA-N
XLogP2.27
TPSA111.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(7-carbamoyl-1H-indol-3-yl) 4-methoxybenzoate
CID 67635886
7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide
CID 174432933
7-nitro-1H-indole-3-carboxamide
CID 57287877
1H-indol-7-yl-(4-methoxyphenyl)methanone
CID 141393759
4-O-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239576
methyl 3-bromo-4-oxo-1H-quinoline-8-carboxylate
CID 71711059
7-methoxy-1H-pyrrolo[2,3-c]pyridine-3,5-dicarboxamide
CID 68942529
7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide;fluorobenzene
CID 174432932
bis(7-carbamoyl-1H-indol-3-yl) 2,3-dihydroxybutanedioate
CID 67634758
1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione
CID 14529191
methyl 6-carbamoylnaphthalene-1-carboxylate
CID 162353459
methyl 2-amino-3-(4-methoxybenzoyl)benzoate
CID 18694348

Frequently Asked Questions

What is the IUPAC name of (4-methoxybenzoyl) 3-carbamoyl-1H-indole-7-carboxylate?
The IUPAC name of (4-methoxybenzoyl) 3-carbamoyl-1H-indole-7-carboxylate (CID 175235931) is (4-methoxybenzoyl) 3-carbamoyl-1H-indole-7-carboxylate.
What is the SMILES notation for (4-methoxybenzoyl) 3-carbamoyl-1H-indole-7-carboxylate?
The canonical SMILES for (4-methoxybenzoyl) 3-carbamoyl-1H-indole-7-carboxylate is COc1ccc(C(=O)OC(=O)c2cccc3c(C(N)=O)c[nH]c23)cc1.
What is the InChIKey of (4-methoxybenzoyl) 3-carbamoyl-1H-indole-7-carboxylate?
The InChIKey is WFMXLBFESIVKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5/c1-24-11-7-5-10(6-8-11)17(22)25-18(23)13-4-2-3-12-14(16(19)21)9-20-15(12)13/h2-9,20H,1H3,(H2,19,21).
What are the key properties of (4-methoxybenzoyl) 3-carbamoyl-1H-indole-7-carboxylate?
(4-methoxybenzoyl) 3-carbamoyl-1H-indole-7-carboxylate has a molecular weight of 338.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxybenzoyl) 3-carbamoyl-1H-indole-7-carboxylate is sourced from PubChem (CID 175235931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).