ethyl 4-[(2-methylquinoline-4-carbonyl)amino]benzoate

C20H18N2O3 — CID 1082716

IUPACethyl 4-[(2-methylquinoline-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C20H18N2O3/c1-3-25-20(24)14-8-10-15(11-9-14)22-19(23)17-12-13(2)21-18-7-5-4-6-16(17)18/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeySQGHLDPPHRXTDT-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.97
Rot. Bonds4

About ethyl 4-[(2-methylquinoline-4-carbonyl)amino]benzoate

ethyl 4-[(2-methylquinoline-4-carbonyl)amino]benzoate (PubChem CID 1082716) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is ethyl 4-[(2-methylquinoline-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-methylquinoline-4-carbonyl)amino]benzoate
PubChem CID1082716
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Nameethyl 4-[(2-methylquinoline-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C20H18N2O3/c1-3-25-20(24)14-8-10-15(11-9-14)22-19(23)17-12-13(2)21-18-7-5-4-6-16(17)18/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeySQGHLDPPHRXTDT-UHFFFAOYSA-N
XLogP3.97
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methylquinoline-4-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(2-methylquinoline-4-carbonyl)amino]benzoate (CID 1082716) is ethyl 4-[(2-methylquinoline-4-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(2-methylquinoline-4-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(2-methylquinoline-4-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1.
What is the InChIKey of ethyl 4-[(2-methylquinoline-4-carbonyl)amino]benzoate?
The InChIKey is SQGHLDPPHRXTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-3-25-20(24)14-8-10-15(11-9-14)22-19(23)17-12-13(2)21-18-7-5-4-6-16(17)18/h4-12H,3H2,1-2H3,(H,22,23).
What are the key properties of ethyl 4-[(2-methylquinoline-4-carbonyl)amino]benzoate?
ethyl 4-[(2-methylquinoline-4-carbonyl)amino]benzoate has a molecular weight of 334.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methylquinoline-4-carbonyl)amino]benzoate is sourced from PubChem (CID 1082716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).