ethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate

C20H19ClN2O3 — CID 1183946

IUPACethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccc(OC)cc1
InChIInChI=1S/C20H19ClN2O3/c1-4-26-20(24)16-11-22-18-12(2)17(21)10-9-15(18)19(16)23-13-5-7-14(25-3)8-6-13/h5-11H,4H2,1-3H3,(H,22,23)
InChIKeyMSKXJAZTISVYJN-UHFFFAOYSA-N
MW370.84 g/mol
LogP5.13
Rot. Bonds5

About ethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate

ethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate (PubChem CID 1183946) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is ethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate
PubChem CID1183946
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Nameethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccc(OC)cc1
InChIInChI=1S/C20H19ClN2O3/c1-4-26-20(24)16-11-22-18-12(2)17(21)10-9-15(18)19(16)23-13-5-7-14(25-3)8-6-13/h5-11H,4H2,1-3H3,(H,22,23)
InChIKeyMSKXJAZTISVYJN-UHFFFAOYSA-N
XLogP5.13
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.84
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 7-chloro-4-(4-ethoxyanilino)-8-methylquinoline-3-carboxylate
CID 1183948
ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate
CID 1181319
ethyl 4-(4-acetamidoanilino)-7,8-dimethylquinoline-3-carboxylate
CID 2956986
ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate
CID 709130
ethyl 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
CID 2791596
ethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate
CID 23995336
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
ethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride
CID 2789452
ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate
CID 23769624
3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate
CID 1191451
4-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate
CID 54721977
ethyl 6-ethoxy-4-(4-methoxyanilino)-1,5-naphthyridine-3-carboxylate;hydrate;hydrochloride
CID 23209185

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate (CID 1183946) is ethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccc(OC)cc1.
What is the InChIKey of ethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate?
The InChIKey is MSKXJAZTISVYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-4-26-20(24)16-11-22-18-12(2)17(21)10-9-15(18)19(16)23-13-5-7-14(25-3)8-6-13/h5-11H,4H2,1-3H3,(H,22,23).
What are the key properties of ethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate?
ethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate has a molecular weight of 370.84 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate is sourced from PubChem (CID 1183946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).