(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-bromo-1H-indole-2-carboxylate

C17H14BrNO5 — CID 38670645

IUPAC(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-bromo-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc(COC(=O)c2cc3cc(Br)ccc3[nH]2)oc1C
InChIInChI=1S/C17H14BrNO5/c1-9-13(16(20)22-2)7-12(24-9)8-23-17(21)15-6-10-5-11(18)3-4-14(10)19-15/h3-7,19H,8H2,1-2H3
InChIKeyRQNDDTQBMPEAHG-UHFFFAOYSA-N
MW392.21 g/mol
LogP3.98
Rot. Bonds4

About (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-bromo-1H-indole-2-carboxylate

(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-bromo-1H-indole-2-carboxylate (PubChem CID 38670645) has the molecular formula C17H14BrNO5 and a molecular weight of 392.21 g/mol. Its IUPAC name is (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-bromo-1H-indole-2-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-bromo-1H-indole-2-carboxylate
PubChem CID38670645
Molecular FormulaC17H14BrNO5
Molecular Weight392.21 g/mol
Exact Mass391.01
IUPAC Name(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-bromo-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc(COC(=O)c2cc3cc(Br)ccc3[nH]2)oc1C
InChIInChI=1S/C17H14BrNO5/c1-9-13(16(20)22-2)7-12(24-9)8-23-17(21)15-6-10-5-11(18)3-4-14(10)19-15/h3-7,19H,8H2,1-2H3
InChIKeyRQNDDTQBMPEAHG-UHFFFAOYSA-N
XLogP3.98
TPSA81.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.21
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 1H-indole-2-carboxylate
CID 7722921
methyl 5-[(4-chlorobenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 2481052
methyl 5-[(3-hydroxynaphthalene-2-carbonyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 7812111
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-oxochromene-3-carboxylate
CID 8707731
methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate
CID 2097734
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726770
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate
CID 18777229
methyl 5-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81357144
methyl 5-[[(5-bromo-2-iodobenzoyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 55612426
methyl 5-[(2-chloro-5-sulfamoylbenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 7993888
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 30096308
methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate
CID 9019518

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-bromo-1H-indole-2-carboxylate?
The IUPAC name of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-bromo-1H-indole-2-carboxylate (CID 38670645) is (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-bromo-1H-indole-2-carboxylate.
What is the SMILES notation for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-bromo-1H-indole-2-carboxylate?
The canonical SMILES for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-bromo-1H-indole-2-carboxylate is COC(=O)c1cc(COC(=O)c2cc3cc(Br)ccc3[nH]2)oc1C.
What is the InChIKey of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-bromo-1H-indole-2-carboxylate?
The InChIKey is RQNDDTQBMPEAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO5/c1-9-13(16(20)22-2)7-12(24-9)8-23-17(21)15-6-10-5-11(18)3-4-14(10)19-15/h3-7,19H,8H2,1-2H3.
What are the key properties of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-bromo-1H-indole-2-carboxylate?
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-bromo-1H-indole-2-carboxylate has a molecular weight of 392.21 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-bromo-1H-indole-2-carboxylate is sourced from PubChem (CID 38670645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).