methyl 6-[(2,3,4-trimethoxybenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate

C21H24N2O6 — CID 16766254

IUPACmethyl 6-[(2,3,4-trimethoxybenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCOC(=O)N1CCCc2cc(NC(=O)c3ccc(OC)c(OC)c3OC)ccc21
InChIInChI=1S/C21H24N2O6/c1-26-17-10-8-15(18(27-2)19(17)28-3)20(24)22-14-7-9-16-13(12-14)6-5-11-23(16)21(25)29-4/h7-10,12H,5-6,11H2,1-4H3,(H,22,24)
InChIKeyIRAZNCWKLOJCCK-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.48
Rot. Bonds5

About methyl 6-[(2,3,4-trimethoxybenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate

methyl 6-[(2,3,4-trimethoxybenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 16766254) has the molecular formula C21H24N2O6 and a molecular weight of 400.43 g/mol. Its IUPAC name is methyl 6-[(2,3,4-trimethoxybenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2,3,4-trimethoxybenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID16766254
Molecular FormulaC21H24N2O6
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC Namemethyl 6-[(2,3,4-trimethoxybenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCOC(=O)N1CCCc2cc(NC(=O)c3ccc(OC)c(OC)c3OC)ccc21
InChIInChI=1S/C21H24N2O6/c1-26-17-10-8-15(18(27-2)19(17)28-3)20(24)22-14-7-9-16-13(12-14)6-5-11-23(16)21(25)29-4/h7-10,12H,5-6,11H2,1-4H3,(H,22,24)
InChIKeyIRAZNCWKLOJCCK-UHFFFAOYSA-N
XLogP3.48
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-[(2,3,4-trimethoxybenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate with MolForge

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Related Compounds

N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,3-dimethoxybenzamide
CID 7498597
N-(2,3-dihydro-1H-inden-5-yl)-2,3-dimethoxybenzamide
CID 26198866
2,3-dimethoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517455
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3,4-trimethoxybenzamide
CID 16926889
2-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7498683
methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 82473511
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 7656241
2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657892
2-(3,4-dimethoxyphenyl)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7498752
N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide
CID 4794471
1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3,4-dimethoxyphenyl)urea
CID 30374067
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
CID 18122079

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2,3,4-trimethoxybenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of methyl 6-[(2,3,4-trimethoxybenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate (CID 16766254) is methyl 6-[(2,3,4-trimethoxybenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for methyl 6-[(2,3,4-trimethoxybenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for methyl 6-[(2,3,4-trimethoxybenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate is COC(=O)N1CCCc2cc(NC(=O)c3ccc(OC)c(OC)c3OC)ccc21.
What is the InChIKey of methyl 6-[(2,3,4-trimethoxybenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is IRAZNCWKLOJCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6/c1-26-17-10-8-15(18(27-2)19(17)28-3)20(24)22-14-7-9-16-13(12-14)6-5-11-23(16)21(25)29-4/h7-10,12H,5-6,11H2,1-4H3,(H,22,24).
What are the key properties of methyl 6-[(2,3,4-trimethoxybenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate?
methyl 6-[(2,3,4-trimethoxybenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 400.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2,3,4-trimethoxybenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 16766254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).