4,7-dimethoxy-3-methyl-1H-indole-2-carboxamide

C12H14N2O3 — CID 172970685

IUPAC4,7-dimethoxy-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc(OC)c2c(C)c(C(N)=O)[nH]c12
InChIInChI=1S/C12H14N2O3/c1-6-9-7(16-2)4-5-8(17-3)11(9)14-10(6)12(13)15/h4-5,14H,1-3H3,(H2,13,15)
InChIKeyTVTPIEFJRBHXLC-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.59
Rot. Bonds3

About 4,7-dimethoxy-3-methyl-1H-indole-2-carboxamide

4,7-dimethoxy-3-methyl-1H-indole-2-carboxamide (PubChem CID 172970685) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4,7-dimethoxy-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,7-dimethoxy-3-methyl-1H-indole-2-carboxamide
PubChem CID172970685
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4,7-dimethoxy-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc(OC)c2c(C)c(C(N)=O)[nH]c12
InChIInChI=1S/C12H14N2O3/c1-6-9-7(16-2)4-5-8(17-3)11(9)14-10(6)12(13)15/h4-5,14H,1-3H3,(H2,13,15)
InChIKeyTVTPIEFJRBHXLC-UHFFFAOYSA-N
XLogP1.59
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5,8-dimethoxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate
CID 67851388
4,8-dimethoxynaphthalene-1,5-dicarboxamide
CID 100971321
4-methoxy-3,7-dimethyl-1H-indole-2-carbaldehyde
CID 105455213
7-bromo-4-methoxy-2,3-dimethyl-1H-indole
CID 130049908
3-chloro-6-methoxy-2-methylbenzamide
CID 171008578
7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde
CID 82373470
4-methoxy-3-(trifluoromethyl)-1H-indole-2-carboxamide
CID 175836718
methyl 8-bromo-1,6-dimethoxy-7-methyl-9H-carbazole-4-carboxylate
CID 11153137
[3-(2-methoxyphenoxy)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 70716899
(7-methoxy-3,4-dimethyl-1H-indol-2-yl)methanol
CID 84620551
5,8-dimethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 82495738
2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)-2-methylpropanoic acid
CID 82500844

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of 4,7-dimethoxy-3-methyl-1H-indole-2-carboxamide (CID 172970685) is 4,7-dimethoxy-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 4,7-dimethoxy-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 4,7-dimethoxy-3-methyl-1H-indole-2-carboxamide is COc1ccc(OC)c2c(C)c(C(N)=O)[nH]c12.
What is the InChIKey of 4,7-dimethoxy-3-methyl-1H-indole-2-carboxamide?
The InChIKey is TVTPIEFJRBHXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-6-9-7(16-2)4-5-8(17-3)11(9)14-10(6)12(13)15/h4-5,14H,1-3H3,(H2,13,15).
What are the key properties of 4,7-dimethoxy-3-methyl-1H-indole-2-carboxamide?
4,7-dimethoxy-3-methyl-1H-indole-2-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 172970685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).