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

C19H19ClN2O2 — CID 13038515

IUPACethyl 4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2ccccc2c1Nc1ccccc1C.Cl
InChIInChI=1S/C19H18N2O2.ClH/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);1H
InChIKeyQVSYNWHRVQHXTG-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.89
Rot. Bonds4

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

ethyl 4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride (PubChem CID 13038515) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is ethyl 4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride
PubChem CID13038515
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Nameethyl 4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2ccccc2c1Nc1ccccc1C.Cl
InChIInChI=1S/C19H18N2O2.ClH/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);1H
InChIKeyQVSYNWHRVQHXTG-UHFFFAOYSA-N
XLogP4.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.89
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;hydrochloride?
The IUPAC name of ethyl 4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride (CID 13038515) is ethyl 4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride is CCOC(=O)c1cnc2ccccc2c1Nc1ccccc1C.Cl.
What is the InChIKey of ethyl 4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride?
The InChIKey is QVSYNWHRVQHXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2.ClH/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);1H.
What are the key properties of ethyl 4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride?
ethyl 4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of 4.89, 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;hydrochloride is sourced from PubChem (CID 13038515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).