ethyl 4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate

C22H24N2O3 — CID 23731775

IUPACethyl 4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1Nc1ccc(OCC(C)C)cc1
InChIInChI=1S/C22H24N2O3/c1-4-26-22(25)19-13-23-20-8-6-5-7-18(20)21(19)24-16-9-11-17(12-10-16)27-14-15(2)3/h5-13,15H,4,14H2,1-3H3,(H,23,24)
InChIKeyGGMLISNAGLIRFG-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.19
Rot. Bonds7

About ethyl 4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate

ethyl 4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate (PubChem CID 23731775) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is ethyl 4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate
PubChem CID23731775
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Nameethyl 4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1Nc1ccc(OCC(C)C)cc1
InChIInChI=1S/C22H24N2O3/c1-4-26-22(25)19-13-23-20-8-6-5-7-18(20)21(19)24-16-9-11-17(12-10-16)27-14-15(2)3/h5-13,15H,4,14H2,1-3H3,(H,23,24)
InChIKeyGGMLISNAGLIRFG-UHFFFAOYSA-N
XLogP5.19
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-bromo-4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate
CID 23994873
ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate
CID 66715927
ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate
CID 709089
ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate
CID 22333888
diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289
ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate
CID 1181319
ethyl 4-[3-(methanesulfonamido)anilino]quinoline-3-carboxylate
CID 155927197
diethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate
CID 23794912
ethyl 4-(prop-2-enylamino)quinoline-3-carboxylate
CID 13295816
ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride
CID 2790966
ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate
CID 23769624
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate?
The IUPAC name of ethyl 4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate (CID 23731775) is ethyl 4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate is CCOC(=O)c1cnc2ccccc2c1Nc1ccc(OCC(C)C)cc1.
What is the InChIKey of ethyl 4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate?
The InChIKey is GGMLISNAGLIRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-26-22(25)19-13-23-20-8-6-5-7-18(20)21(19)24-16-9-11-17(12-10-16)27-14-15(2)3/h5-13,15H,4,14H2,1-3H3,(H,23,24).
What are the key properties of ethyl 4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate?
ethyl 4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate has a molecular weight of 364.45 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate is sourced from PubChem (CID 23731775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).