5,6,7-trimethoxy-1-methylindole-2-carbonyl chloride

C13H14ClNO4 — CID 10802949

IUPAC5,6,7-trimethoxy-1-methylindole-2-carbonyl chloride
SMILESCOc1cc2cc(C(=O)Cl)n(C)c2c(OC)c1OC
InChIInChI=1S/C13H14ClNO4/c1-15-8(13(14)16)5-7-6-9(17-2)11(18-3)12(19-4)10(7)15/h5-6H,1-4H3
InChIKeyCDHRESUACNKAEK-UHFFFAOYSA-N
MW283.71 g/mol
LogP2.58
Rot. Bonds4

About 5,6,7-trimethoxy-1-methylindole-2-carbonyl chloride

5,6,7-trimethoxy-1-methylindole-2-carbonyl chloride (PubChem CID 10802949) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is 5,6,7-trimethoxy-1-methylindole-2-carbonyl chloride.

Molecular Properties

Compound Name5,6,7-trimethoxy-1-methylindole-2-carbonyl chloride
PubChem CID10802949
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name5,6,7-trimethoxy-1-methylindole-2-carbonyl chloride
SMILESCOc1cc2cc(C(=O)Cl)n(C)c2c(OC)c1OC
InChIInChI=1S/C13H14ClNO4/c1-15-8(13(14)16)5-7-6-9(17-2)11(18-3)12(19-4)10(7)15/h5-6H,1-4H3
InChIKeyCDHRESUACNKAEK-UHFFFAOYSA-N
XLogP2.58
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

5,6,7-trimethoxy-1,2-dimethylindole
CID 141308124
(2S)-3-methyl-2-[(5,6,7-trimethoxy-1-methylindole-2-carbonyl)amino]butanoate
CID 7070047
(2S,3R)-3-methyl-2-[(5,6,7-trimethoxy-1-methylindole-2-carbonyl)amino]pentanoic acid
CID 7070103
(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5,6,7-trimethoxy-1-methylindol-2-yl)methanone
CID 29136888
5,6,7-trimethoxy-1-methyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide
CID 45369804
5,6,7-trimethoxy-1-methyl-N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide
CID 96565032
(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5,6,7-trimethoxy-1-methylindol-2-yl)methanone
CID 42506820
N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-5,6,7-trimethoxy-1-methylindole-2-carboxamide
CID 42535642
methyl 5,7-dimethoxy-1-methylindole-2-carboxylate
CID 102511974
5,6,7-trimethoxy-1-methylindole
CID 141308126
1-O-benzyl 2-O-methyl 5,6,7-trimethoxyindole-1,2-dicarboxylate
CID 11234949
6-(2,3,4,5-tetramethoxyphenoxy)-1,3,5-triazine-2,4-dicarbonyl chloride
CID 140938435

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-1-methylindole-2-carbonyl chloride?
The IUPAC name of 5,6,7-trimethoxy-1-methylindole-2-carbonyl chloride (CID 10802949) is 5,6,7-trimethoxy-1-methylindole-2-carbonyl chloride.
What is the SMILES notation for 5,6,7-trimethoxy-1-methylindole-2-carbonyl chloride?
The canonical SMILES for 5,6,7-trimethoxy-1-methylindole-2-carbonyl chloride is COc1cc2cc(C(=O)Cl)n(C)c2c(OC)c1OC.
What is the InChIKey of 5,6,7-trimethoxy-1-methylindole-2-carbonyl chloride?
The InChIKey is CDHRESUACNKAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4/c1-15-8(13(14)16)5-7-6-9(17-2)11(18-3)12(19-4)10(7)15/h5-6H,1-4H3.
What are the key properties of 5,6,7-trimethoxy-1-methylindole-2-carbonyl chloride?
5,6,7-trimethoxy-1-methylindole-2-carbonyl chloride has a molecular weight of 283.71 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-1-methylindole-2-carbonyl chloride is sourced from PubChem (CID 10802949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).