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

C19H20N2O3 — CID 970092

IUPACmethyl 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)N1CCCc2cc(C)ccc21
InChIInChI=1S/C19H20N2O3/c1-13-9-10-17-14(12-13)6-5-11-21(17)19(23)20-16-8-4-3-7-15(16)18(22)24-2/h3-4,7-10,12H,5-6,11H2,1-2H3,(H,20,23)
InChIKeyKNIWKIVCBITDSO-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.77
Rot. Bonds2

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

methyl 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate (PubChem CID 970092) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate
PubChem CID970092
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namemethyl 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)N1CCCc2cc(C)ccc21
InChIInChI=1S/C19H20N2O3/c1-13-9-10-17-14(12-13)6-5-11-21(17)19(23)20-16-8-4-3-7-15(16)18(22)24-2/h3-4,7-10,12H,5-6,11H2,1-2H3,(H,20,23)
InChIKeyKNIWKIVCBITDSO-UHFFFAOYSA-N
XLogP3.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-(3-phenylpropanoylamino)benzoate
CID 903133
N-Benzylisatoic anhydride
CID 520756
N-ethylisatoic anhydride
CID 3249856
4-(3,4-Difluoro-phenyl)-3-{3-[4-(2-methoxycarbonyl-phenyl)-piperazin-1-yl]-propylcarbamoyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester
CID 10627155
ethyl 4-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)amino]benzoate
CID 970289
Methyl 2-({[4-(4-fluorophenyl)-1-piperazinyl]carbonyl}amino)benzoate
CID 2211563
Acetic acid 1-benzoyl-2,6-dimethyl-1,2,3,4-tetrahydro-quinolin-4-yl ester
CID 645583
Methyl 2-[(4-cyclohexylpiperazine-1-carbothioyl)amino]benzoate
CID 3872378
Methyl 2-{[(ethylamino)carbonyl]amino}benzoate
CID 728318
methyl 3-[3-(diethylamino)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate
CID 866393
Ethyl 4-(piperidine-1-carbonylamino)benzoate
CID 2930438
Benzyl 4-(4-(dimethylamino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 3090147

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate (CID 970092) is methyl 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)N1CCCc2cc(C)ccc21.
What is the InChIKey of methyl 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate?
The InChIKey is KNIWKIVCBITDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-9-10-17-14(12-13)6-5-11-21(17)19(23)20-16-8-4-3-7-15(16)18(22)24-2/h3-4,7-10,12H,5-6,11H2,1-2H3,(H,20,23).
What are the key properties of methyl 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate?
methyl 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate has a molecular weight of 324.38 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate is sourced from PubChem (CID 970092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).