ethyl 4-(2-methylanilino)quinoline-3-carboxylate

C19H18N2O2 — CID 709108

IUPACethyl 4-(2-methylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1Nc1ccccc1C
InChIInChI=1S/C19H18N2O2/c1-3-23-19(22)15-12-20-17-11-7-5-9-14(17)18(15)21-16-10-6-4-8-13(16)2/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeyTWBJRHQNCGSISF-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.46
Rot. Bonds4

About ethyl 4-(2-methylanilino)quinoline-3-carboxylate

ethyl 4-(2-methylanilino)quinoline-3-carboxylate (PubChem CID 709108) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is ethyl 4-(2-methylanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methylanilino)quinoline-3-carboxylate
PubChem CID709108
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Nameethyl 4-(2-methylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1Nc1ccccc1C
InChIInChI=1S/C19H18N2O2/c1-3-23-19(22)15-12-20-17-11-7-5-9-14(17)18(15)21-16-10-6-4-8-13(16)2/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeyTWBJRHQNCGSISF-UHFFFAOYSA-N
XLogP4.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methylanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(2-methylanilino)quinoline-3-carboxylate (CID 709108) is ethyl 4-(2-methylanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-methylanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(2-methylanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccccc2c1Nc1ccccc1C.
What is the InChIKey of ethyl 4-(2-methylanilino)quinoline-3-carboxylate?
The InChIKey is TWBJRHQNCGSISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-3-23-19(22)15-12-20-17-11-7-5-9-14(17)18(15)21-16-10-6-4-8-13(16)2/h4-12H,3H2,1-2H3,(H,20,21).
What are the key properties of ethyl 4-(2-methylanilino)quinoline-3-carboxylate?
ethyl 4-(2-methylanilino)quinoline-3-carboxylate has a molecular weight of 306.37 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methylanilino)quinoline-3-carboxylate is sourced from PubChem (CID 709108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).