ethyl 3-[(2-methylquinolin-4-yl)carbamoylamino]benzoate

C20H19N3O3 — CID 22745126

IUPACethyl 3-[(2-methylquinolin-4-yl)carbamoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)Nc2cc(C)nc3ccccc23)c1
InChIInChI=1S/C20H19N3O3/c1-3-26-19(24)14-7-6-8-15(12-14)22-20(25)23-18-11-13(2)21-17-10-5-4-9-16(17)18/h4-12H,3H2,1-2H3,(H2,21,22,23,25)
InChIKeyUYOHTCCLXICITI-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.36
Rot. Bonds4

About ethyl 3-[(2-methylquinolin-4-yl)carbamoylamino]benzoate

ethyl 3-[(2-methylquinolin-4-yl)carbamoylamino]benzoate (PubChem CID 22745126) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is ethyl 3-[(2-methylquinolin-4-yl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(2-methylquinolin-4-yl)carbamoylamino]benzoate
PubChem CID22745126
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Nameethyl 3-[(2-methylquinolin-4-yl)carbamoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)Nc2cc(C)nc3ccccc23)c1
InChIInChI=1S/C20H19N3O3/c1-3-26-19(24)14-7-6-8-15(12-14)22-20(25)23-18-11-13(2)21-17-10-5-4-9-16(17)18/h4-12H,3H2,1-2H3,(H2,21,22,23,25)
InChIKeyUYOHTCCLXICITI-UHFFFAOYSA-N
XLogP4.36
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Neocinchophen
CID 68089
3-(9-Acridinylamino)benzoic acid
CID 149241
9-Acridinecarboxylic acid, methyl ester
CID 21211
Methyl 2-phenyl-4-quinolinecarboxylate
CID 609693
[2-(Ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2089511
[2-(N-methylanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2417563
[2-Oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 2427239
Methyl 4-((2,6-dimethylquinolin-4-yl)amino)benzoate hydrochloride
CID 2789795
(2-amino-2-oxoethyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 3937699
Methyl 2-propylquinoline-4-carboxylate
CID 841798
Methyl 4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate
CID 996799
[3-(Acridin-9-ylamino)-5-aminophenyl]methyl acetate
CID 10043880

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-methylquinolin-4-yl)carbamoylamino]benzoate?
The IUPAC name of ethyl 3-[(2-methylquinolin-4-yl)carbamoylamino]benzoate (CID 22745126) is ethyl 3-[(2-methylquinolin-4-yl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 3-[(2-methylquinolin-4-yl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 3-[(2-methylquinolin-4-yl)carbamoylamino]benzoate is CCOC(=O)c1cccc(NC(=O)Nc2cc(C)nc3ccccc23)c1.
What is the InChIKey of ethyl 3-[(2-methylquinolin-4-yl)carbamoylamino]benzoate?
The InChIKey is UYOHTCCLXICITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-3-26-19(24)14-7-6-8-15(12-14)22-20(25)23-18-11-13(2)21-17-10-5-4-9-16(17)18/h4-12H,3H2,1-2H3,(H2,21,22,23,25).
What are the key properties of ethyl 3-[(2-methylquinolin-4-yl)carbamoylamino]benzoate?
ethyl 3-[(2-methylquinolin-4-yl)carbamoylamino]benzoate has a molecular weight of 349.39 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-methylquinolin-4-yl)carbamoylamino]benzoate is sourced from PubChem (CID 22745126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).