methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]acetate;hydrochloride

C14H17ClN2O5 — CID 44663549

IUPACmethyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]acetate;hydrochloride
SMILESCOC(=O)CNC(=O)c1cc2cc(OC)c(OC)cc2[nH]1.Cl
InChIInChI=1S/C14H16N2O5.ClH/c1-19-11-5-8-4-10(14(18)15-7-13(17)21-3)16-9(8)6-12(11)20-2;/h4-6,16H,7H2,1-3H3,(H,15,18);1H
InChIKeyLQJYQMYVZXFBSN-UHFFFAOYSA-N
MW328.75 g/mol
LogP1.51
Rot. Bonds5

About methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]acetate;hydrochloride

methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]acetate;hydrochloride (PubChem CID 44663549) has the molecular formula C14H17ClN2O5 and a molecular weight of 328.75 g/mol. Its IUPAC name is methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]acetate;hydrochloride
PubChem CID44663549
Molecular FormulaC14H17ClN2O5
Molecular Weight328.75 g/mol
Exact Mass328.08
IUPAC Namemethyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]acetate;hydrochloride
SMILESCOC(=O)CNC(=O)c1cc2cc(OC)c(OC)cc2[nH]1.Cl
InChIInChI=1S/C14H16N2O5.ClH/c1-19-11-5-8-4-10(14(18)15-7-13(17)21-3)16-9(8)6-12(11)20-2;/h4-6,16H,7H2,1-3H3,(H,15,18);1H
InChIKeyLQJYQMYVZXFBSN-UHFFFAOYSA-N
XLogP1.51
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride
CID 44664335
5,6-dimethoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 7678004
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5,6-dimethoxy-1H-indole-2-carboxamide
CID 91636949
5,6-dimethoxy-N-[2-(4-methoxyindol-1-yl)ethyl]-1H-indole-2-carboxamide
CID 71825514
methyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate
CID 47153631
5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide
CID 71827682
N-(1-hydroxy-3-phenylpropan-2-yl)-5,6-dimethoxy-1H-indole-2-carboxamide
CID 162970638
benzyl 2-[(6-methoxy-1H-indole-2-carbonyl)amino]acetate
CID 38424752
N-(3-chloro-4-fluorophenyl)-5,6-dimethoxy-1H-indole-2-carboxamide
CID 7679189
N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide
CID 113207316
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 113207547
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]-5,6-dimethoxy-1H-indole-2-carboxamide
CID 42568895

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]acetate;hydrochloride?
The IUPAC name of methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]acetate;hydrochloride (CID 44663549) is methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]acetate;hydrochloride?
The canonical SMILES for methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]acetate;hydrochloride is COC(=O)CNC(=O)c1cc2cc(OC)c(OC)cc2[nH]1.Cl.
What is the InChIKey of methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]acetate;hydrochloride?
The InChIKey is LQJYQMYVZXFBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5.ClH/c1-19-11-5-8-4-10(14(18)15-7-13(17)21-3)16-9(8)6-12(11)20-2;/h4-6,16H,7H2,1-3H3,(H,15,18);1H.
What are the key properties of methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]acetate;hydrochloride?
methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]acetate;hydrochloride has a molecular weight of 328.75 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]acetate;hydrochloride is sourced from PubChem (CID 44663549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).