ethyl 6-ethoxy-4-(4-methoxyanilino)-1,5-naphthyridine-3-carboxylate;hydrate;hydrochloride

C20H24ClN3O5 — CID 23209185

IUPACethyl 6-ethoxy-4-(4-methoxyanilino)-1,5-naphthyridine-3-carboxylate;hydrate;hydrochloride
SMILESCCOC(=O)c1cnc2ccc(OCC)nc2c1Nc1ccc(OC)cc1.Cl.O
InChIInChI=1S/C20H21N3O4.ClH.H2O/c1-4-26-17-11-10-16-19(23-17)18(15(12-21-16)20(24)27-5-2)22-13-6-8-14(25-3)9-7-13;;/h6-12H,4-5H2,1-3H3,(H,21,22);1H;1H2
InChIKeyJDOWMJSZYXEXRX-UHFFFAOYSA-N
MW421.88 g/mol
LogP3.55
Rot. Bonds7

About ethyl 6-ethoxy-4-(4-methoxyanilino)-1,5-naphthyridine-3-carboxylate;hydrate;hydrochloride

ethyl 6-ethoxy-4-(4-methoxyanilino)-1,5-naphthyridine-3-carboxylate;hydrate;hydrochloride (PubChem CID 23209185) has the molecular formula C20H24ClN3O5 and a molecular weight of 421.88 g/mol. Its IUPAC name is ethyl 6-ethoxy-4-(4-methoxyanilino)-1,5-naphthyridine-3-carboxylate;hydrate;hydrochloride.

Molecular Properties

Compound Nameethyl 6-ethoxy-4-(4-methoxyanilino)-1,5-naphthyridine-3-carboxylate;hydrate;hydrochloride
PubChem CID23209185
Molecular FormulaC20H24ClN3O5
Molecular Weight421.88 g/mol
Exact Mass421.14
IUPAC Nameethyl 6-ethoxy-4-(4-methoxyanilino)-1,5-naphthyridine-3-carboxylate;hydrate;hydrochloride
SMILESCCOC(=O)c1cnc2ccc(OCC)nc2c1Nc1ccc(OC)cc1.Cl.O
InChIInChI=1S/C20H21N3O4.ClH.H2O/c1-4-26-17-11-10-16-19(23-17)18(15(12-21-16)20(24)27-5-2)22-13-6-8-14(25-3)9-7-13;;/h6-12H,4-5H2,1-3H3,(H,21,22);1H;1H2
InChIKeyJDOWMJSZYXEXRX-UHFFFAOYSA-N
XLogP3.55
TPSA114.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 6-ethoxy-4-[(6-ethoxy-3-pyridinyl)amino]-1,5-naphthyridine-3-carboxylate
CID 23209226
2-ethoxy-5-[(6-ethoxy-3-ethoxycarbonyl-1,5-naphthyridin-4-yl)amino]benzoic acid
CID 70346540
ethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate
CID 1183946
ethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate
CID 23903151
ethyl 4-(3-ethoxycarbonylanilino)-6-methoxyquinoline-3-carboxylate
CID 23885216
ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate
CID 22333888
diethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate
CID 23794912
3-[(3-ethoxycarbonyl-6-methoxyquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790549
ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 46397911
ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate
CID 756815
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methoxyquinoline-3-carboxylate
CID 1032904
ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate
CID 1181319

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxy-4-(4-methoxyanilino)-1,5-naphthyridine-3-carboxylate;hydrate;hydrochloride?
The IUPAC name of ethyl 6-ethoxy-4-(4-methoxyanilino)-1,5-naphthyridine-3-carboxylate;hydrate;hydrochloride (CID 23209185) is ethyl 6-ethoxy-4-(4-methoxyanilino)-1,5-naphthyridine-3-carboxylate;hydrate;hydrochloride.
What is the SMILES notation for ethyl 6-ethoxy-4-(4-methoxyanilino)-1,5-naphthyridine-3-carboxylate;hydrate;hydrochloride?
The canonical SMILES for ethyl 6-ethoxy-4-(4-methoxyanilino)-1,5-naphthyridine-3-carboxylate;hydrate;hydrochloride is CCOC(=O)c1cnc2ccc(OCC)nc2c1Nc1ccc(OC)cc1.Cl.O.
What is the InChIKey of ethyl 6-ethoxy-4-(4-methoxyanilino)-1,5-naphthyridine-3-carboxylate;hydrate;hydrochloride?
The InChIKey is JDOWMJSZYXEXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4.ClH.H2O/c1-4-26-17-11-10-16-19(23-17)18(15(12-21-16)20(24)27-5-2)22-13-6-8-14(25-3)9-7-13;;/h6-12H,4-5H2,1-3H3,(H,21,22);1H;1H2.
What are the key properties of ethyl 6-ethoxy-4-(4-methoxyanilino)-1,5-naphthyridine-3-carboxylate;hydrate;hydrochloride?
ethyl 6-ethoxy-4-(4-methoxyanilino)-1,5-naphthyridine-3-carboxylate;hydrate;hydrochloride has a molecular weight of 421.88 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxy-4-(4-methoxyanilino)-1,5-naphthyridine-3-carboxylate;hydrate;hydrochloride is sourced from PubChem (CID 23209185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).