ethyl 4-anilino-5-chloro-6,8-dimethoxyquinoline-3-carboxylate

C20H19ClN2O4 — CID 44537262

IUPACethyl 4-anilino-5-chloro-6,8-dimethoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cc(OC)c(Cl)c2c1Nc1ccccc1
InChIInChI=1S/C20H19ClN2O4/c1-4-27-20(24)13-11-22-19-15(26-3)10-14(25-2)17(21)16(19)18(13)23-12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,22,23)
InChIKeyHAIHZFQBOLRQSC-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.83
Rot. Bonds6

About ethyl 4-anilino-5-chloro-6,8-dimethoxyquinoline-3-carboxylate

ethyl 4-anilino-5-chloro-6,8-dimethoxyquinoline-3-carboxylate (PubChem CID 44537262) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is ethyl 4-anilino-5-chloro-6,8-dimethoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-anilino-5-chloro-6,8-dimethoxyquinoline-3-carboxylate
PubChem CID44537262
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Nameethyl 4-anilino-5-chloro-6,8-dimethoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cc(OC)c(Cl)c2c1Nc1ccccc1
InChIInChI=1S/C20H19ClN2O4/c1-4-27-20(24)13-11-22-19-15(26-3)10-14(25-2)17(21)16(19)18(13)23-12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,22,23)
InChIKeyHAIHZFQBOLRQSC-UHFFFAOYSA-N
XLogP4.83
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-anilino-5,8-dimethoxyquinoline-3-carboxylate
CID 13038487
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate
CID 23769624
ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 62191865
ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate
CID 709130
ethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride
CID 13038524
ethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate
CID 1183946
ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate
CID 1181319
diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289
ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
CID 13038443
ethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate
CID 1186854
ethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate
CID 23995336

Frequently Asked Questions

What is the IUPAC name of ethyl 4-anilino-5-chloro-6,8-dimethoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-anilino-5-chloro-6,8-dimethoxyquinoline-3-carboxylate (CID 44537262) is ethyl 4-anilino-5-chloro-6,8-dimethoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-anilino-5-chloro-6,8-dimethoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-anilino-5-chloro-6,8-dimethoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2c(OC)cc(OC)c(Cl)c2c1Nc1ccccc1.
What is the InChIKey of ethyl 4-anilino-5-chloro-6,8-dimethoxyquinoline-3-carboxylate?
The InChIKey is HAIHZFQBOLRQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-4-27-20(24)13-11-22-19-15(26-3)10-14(25-2)17(21)16(19)18(13)23-12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,22,23).
What are the key properties of ethyl 4-anilino-5-chloro-6,8-dimethoxyquinoline-3-carboxylate?
ethyl 4-anilino-5-chloro-6,8-dimethoxyquinoline-3-carboxylate has a molecular weight of 386.84 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-anilino-5-chloro-6,8-dimethoxyquinoline-3-carboxylate is sourced from PubChem (CID 44537262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).