ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride

C20H21ClN2O3 — CID 20529026

IUPACethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C.Cl
InChIInChI=1S/C20H20N2O3.ClH/c1-4-25-20(23)15-12-21-19-14(9-7-11-17(19)24-3)18(15)22-16-10-6-5-8-13(16)2;/h5-12H,4H2,1-3H3,(H,21,22);1H
InChIKeyDXCCJYWRCAJAGW-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.89
Rot. Bonds5

About ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride

ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride (PubChem CID 20529026) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride
PubChem CID20529026
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Nameethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C.Cl
InChIInChI=1S/C20H20N2O3.ClH/c1-4-25-20(23)15-12-21-19-14(9-7-11-17(19)24-3)18(15)22-16-10-6-5-8-13(16)2;/h5-12H,4H2,1-3H3,(H,21,22);1H
InChIKeyDXCCJYWRCAJAGW-UHFFFAOYSA-N
XLogP4.89
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride (CID 20529026) is ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride is CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C.Cl.
What is the InChIKey of ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride?
The InChIKey is DXCCJYWRCAJAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3.ClH/c1-4-25-20(23)15-12-21-19-14(9-7-11-17(19)24-3)18(15)22-16-10-6-5-8-13(16)2;/h5-12H,4H2,1-3H3,(H,21,22);1H.
What are the key properties of ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride?
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride has a molecular weight of 372.85 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride is sourced from PubChem (CID 20529026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).