ethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate

C23H24N2O4 — CID 23734415

IUPACethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate
SMILESCCOC(=O)c1cccc(Nc2c(C(=O)OCC)cnc3c(CC)cccc23)c1
InChIInChI=1S/C23H24N2O4/c1-4-15-9-8-12-18-20(15)24-14-19(23(27)29-6-3)21(18)25-17-11-7-10-16(13-17)22(26)28-5-2/h7-14H,4-6H2,1-3H3,(H,24,25)
InChIKeyDSTPRAMQKJQZSQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.89
Rot. Bonds7

About ethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate

ethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate (PubChem CID 23734415) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is ethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate
PubChem CID23734415
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Nameethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate
SMILESCCOC(=O)c1cccc(Nc2c(C(=O)OCC)cnc3c(CC)cccc23)c1
InChIInChI=1S/C23H24N2O4/c1-4-15-9-8-12-18-20(15)24-14-19(23(27)29-6-3)21(18)25-17-11-7-10-16(13-17)22(26)28-5-2/h7-14H,4-6H2,1-3H3,(H,24,25)
InChIKeyDSTPRAMQKJQZSQ-UHFFFAOYSA-N
XLogP4.89
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-ethoxycarbonylbenzo[h]quinolin-4-yl)amino]benzoate
CID 3413955
ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate
CID 700745
3-[[3-ethoxycarbonyl-8-(trifluoromethyl)quinolin-4-yl]amino]benzoate
CID 3301272
ethyl 4-(3-ethoxycarbonylanilino)-6-methoxyquinoline-3-carboxylate
CID 23885216
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
ethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 23821530
ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate
CID 23733695
3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790542
ethyl 8-cyano-4-(4-ethoxycarbonylanilino)quinoline-3-carboxylate
CID 17016669
diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289
ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate
CID 709130
ethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride
CID 13038524

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate (CID 23734415) is ethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate is CCOC(=O)c1cccc(Nc2c(C(=O)OCC)cnc3c(CC)cccc23)c1.
What is the InChIKey of ethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate?
The InChIKey is DSTPRAMQKJQZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-4-15-9-8-12-18-20(15)24-14-19(23(27)29-6-3)21(18)25-17-11-7-10-16(13-17)22(26)28-5-2/h7-14H,4-6H2,1-3H3,(H,24,25).
What are the key properties of ethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate?
ethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate is sourced from PubChem (CID 23734415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).