ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate

C23H20N2O3 — CID 1190582

IUPACethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1Nc1cccc2ccccc12
InChIInChI=1S/C23H20N2O3/c1-3-28-23(26)18-14-24-22-17(11-7-13-20(22)27-2)21(18)25-19-12-6-9-15-8-4-5-10-16(15)19/h4-14H,3H2,1-2H3,(H,24,25)
InChIKeyGMFABGPGXHWVLP-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.32
Rot. Bonds5

About ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate

ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate (PubChem CID 1190582) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate
PubChem CID1190582
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Nameethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1Nc1cccc2ccccc12
InChIInChI=1S/C23H20N2O3/c1-3-28-23(26)18-14-24-22-17(11-7-13-20(22)27-2)21(18)25-19-12-6-9-15-8-4-5-10-16(15)19/h4-14H,3H2,1-2H3,(H,24,25)
InChIKeyGMFABGPGXHWVLP-UHFFFAOYSA-N
XLogP5.32
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
CID 13038443
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439
ethyl 4-(2-ethylanilino)-8-methoxyquinoline-3-carboxylate phosphate
CID 20529012
ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate
CID 22333868
3-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]-4-methylbenzoic acid;hydrochloride
CID 18590598
ethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 23821530
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate
CID 708704
ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate
CID 23769624
ethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate
CID 20529010
1-[4-[2-(hydroxymethyl)anilino]-8-methoxyquinolin-3-yl]butan-1-one
CID 10405610
1-[4-(2-methoxyanilino)-8-methylquinolin-3-yl]butan-1-one
CID 10246288
6-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]hexanoate
CID 7320785

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate (CID 1190582) is ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(OC)cccc2c1Nc1cccc2ccccc12.
What is the InChIKey of ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate?
The InChIKey is GMFABGPGXHWVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-3-28-23(26)18-14-24-22-17(11-7-13-20(22)27-2)21(18)25-19-12-6-9-15-8-4-5-10-16(15)19/h4-14H,3H2,1-2H3,(H,24,25).
What are the key properties of ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate?
ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate is sourced from PubChem (CID 1190582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).