ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate

C21H20N2O4 — CID 1180834

IUPACethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C21H20N2O4/c1-4-27-21(25)17-12-22-18-10-5-13(2)11-16(18)19(17)23-15-8-6-14(7-9-15)20(24)26-3/h5-12H,4H2,1-3H3,(H,22,23)
InChIKeyNNRSAQGWAPWRSM-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.25
Rot. Bonds5

About ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate

ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate (PubChem CID 1180834) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate
PubChem CID1180834
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Nameethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C21H20N2O4/c1-4-27-21(25)17-12-22-18-10-5-13(2)11-16(18)19(17)23-15-8-6-14(7-9-15)20(24)26-3/h5-12H,4H2,1-3H3,(H,22,23)
InChIKeyNNRSAQGWAPWRSM-UHFFFAOYSA-N
XLogP4.25
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289
ethyl 4-(4-acetylanilino)-6-bromoquinoline-3-carboxylate
CID 1189464
diethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate
CID 23794912
ethyl 6-bromo-4-(4-propan-2-yloxycarbonylanilino)quinoline-3-carboxylate
CID 23853008
ethyl 4-(4-aminoanilino)-6-chloroquinoline-3-carboxylate
CID 66715427
diethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate
CID 23878770
3-O-ethyl 6-O-methyl 4-(2-ethylanilino)quinoline-3,6-dicarboxylate
CID 1187581
diethyl 4-(4-morpholin-4-ylanilino)quinoline-3,6-dicarboxylate
CID 1190175
ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate
CID 22333888
ethyl 4-(3-ethoxycarbonylanilino)-6-methoxyquinoline-3-carboxylate
CID 23885216
3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate
CID 46397906
3-O-ethyl 6-O-methyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate
CID 725474

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate (CID 1180834) is ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(C(=O)OC)cc1.
What is the InChIKey of ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate?
The InChIKey is NNRSAQGWAPWRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-4-27-21(25)17-12-22-18-10-5-13(2)11-16(18)19(17)23-15-8-6-14(7-9-15)20(24)26-3/h5-12H,4H2,1-3H3,(H,22,23).
What are the key properties of ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate?
ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate has a molecular weight of 364.40 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate is sourced from PubChem (CID 1180834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).