2-hydroxy-5,6-dimethoxy-1H-indole-3-carboxamide

C11H12N2O4 — CID 174277153

IUPAC2-hydroxy-5,6-dimethoxy-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]c(O)c(C(N)=O)c2cc1OC
InChIInChI=1S/C11H12N2O4/c1-16-7-3-5-6(4-8(7)17-2)13-11(15)9(5)10(12)14/h3-4,13,15H,1-2H3,(H2,12,14)
InChIKeyHDEZCYIKRQLCHS-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.99
Rot. Bonds3

About 2-hydroxy-5,6-dimethoxy-1H-indole-3-carboxamide

2-hydroxy-5,6-dimethoxy-1H-indole-3-carboxamide (PubChem CID 174277153) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-hydroxy-5,6-dimethoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-5,6-dimethoxy-1H-indole-3-carboxamide
PubChem CID174277153
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name2-hydroxy-5,6-dimethoxy-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]c(O)c(C(N)=O)c2cc1OC
InChIInChI=1S/C11H12N2O4/c1-16-7-3-5-6(4-8(7)17-2)13-11(15)9(5)10(12)14/h3-4,13,15H,1-2H3,(H2,12,14)
InChIKeyHDEZCYIKRQLCHS-UHFFFAOYSA-N
XLogP0.99
TPSA97.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(carbamoylamino)-6-methoxy-1H-indole-3-carboxamide
CID 67071846
5,6-dimethoxy-3-phenyl-1H-indole-2-carboxamide
CID 11522202
2-[4-[1-(2-hydroxy-5,6-dimethoxy-1H-indol-3-yl)propylideneamino]phenyl]acetic acid
CID 135730714
ethyl 4-[[(2-hydroxy-5,6-dimethoxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoate
CID 135585807
4-[(6,7-dimethoxy-2-oxo-1H-quinolin-4-yl)oxy]benzamide
CID 118310234
ethyl 2-[(Z)-(1-amino-2-chloroethylidene)amino]-5,6-dimethoxy-1H-indole-3-carboxylate
CID 14293798
prop-2-enyl 4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylate
CID 54732863
3-amino-N-[4-[[(2-hydroxy-5,6-dimethoxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]-N-methylpropanamide
CID 135585676
3-[(3,5-dimethylphenyl)diazenyl]-5,6-dimethoxy-1H-indol-2-ol
CID 136718442
3-fluoro-6,7-dimethoxy-4-methyl-1H-quinolin-2-one
CID 141228564
6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride
CID 139789848
2-hydroxy-5,6-dimethoxy-3-propylbenzamide
CID 18625107

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5,6-dimethoxy-1H-indole-3-carboxamide?
The IUPAC name of 2-hydroxy-5,6-dimethoxy-1H-indole-3-carboxamide (CID 174277153) is 2-hydroxy-5,6-dimethoxy-1H-indole-3-carboxamide.
What is the SMILES notation for 2-hydroxy-5,6-dimethoxy-1H-indole-3-carboxamide?
The canonical SMILES for 2-hydroxy-5,6-dimethoxy-1H-indole-3-carboxamide is COc1cc2[nH]c(O)c(C(N)=O)c2cc1OC.
What is the InChIKey of 2-hydroxy-5,6-dimethoxy-1H-indole-3-carboxamide?
The InChIKey is HDEZCYIKRQLCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-16-7-3-5-6(4-8(7)17-2)13-11(15)9(5)10(12)14/h3-4,13,15H,1-2H3,(H2,12,14).
What are the key properties of 2-hydroxy-5,6-dimethoxy-1H-indole-3-carboxamide?
2-hydroxy-5,6-dimethoxy-1H-indole-3-carboxamide has a molecular weight of 236.23 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5,6-dimethoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 174277153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).