ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate

C19H18N2O3 — CID 709089

IUPACethyl 4-(3-methoxyanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1Nc1cccc(OC)c1
InChIInChI=1S/C19H18N2O3/c1-3-24-19(22)16-12-20-17-10-5-4-9-15(17)18(16)21-13-7-6-8-14(11-13)23-2/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeyRQMSMJIXBSVDSR-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.16
Rot. Bonds5

About ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate

ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate (PubChem CID 709089) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-methoxyanilino)quinoline-3-carboxylate
PubChem CID709089
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 4-(3-methoxyanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1Nc1cccc(OC)c1
InChIInChI=1S/C19H18N2O3/c1-3-24-19(22)16-12-20-17-10-5-4-9-15(17)18(16)21-13-7-6-8-14(11-13)23-2/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeyRQMSMJIXBSVDSR-UHFFFAOYSA-N
XLogP4.16
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(3-ethoxycarbonylanilino)-6-methoxyquinoline-3-carboxylate
CID 23885216
ethyl 4-[3-(methanesulfonamido)anilino]quinoline-3-carboxylate
CID 155927197
3-[(3-ethoxycarbonyl-6-methoxyquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790549
ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate
CID 66715927
ethyl 4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate
CID 23731775
ethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate
CID 23903151
ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate
CID 102267989
3-[(6-ethoxy-3-ethoxycarbonylquinolin-4-yl)amino]benzoic acid
CID 1187193
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methoxyquinoline-3-carboxylate
CID 1032904
diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289
ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 46397911
4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide
CID 174510815

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate (CID 709089) is ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccccc2c1Nc1cccc(OC)c1.
What is the InChIKey of ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate?
The InChIKey is RQMSMJIXBSVDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-24-19(22)16-12-20-17-10-5-4-9-15(17)18(16)21-13-7-6-8-14(11-13)23-2/h4-12H,3H2,1-2H3,(H,20,21).
What are the key properties of ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate?
ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate is sourced from PubChem (CID 709089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).