6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid

C23H20N4O4 — CID 23209285

IUPAC6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid
SMILESCCOc1cc2c(Nc3ccc(Oc4ccccn4)cc3)c(C(=O)O)cnc2nc1C
InChIInChI=1S/C23H20N4O4/c1-3-30-19-12-17-21(18(23(28)29)13-25-22(17)26-14(19)2)27-15-7-9-16(10-8-15)31-20-6-4-5-11-24-20/h4-13H,3H2,1-2H3,(H,28,29)(H,25,26,27)
InChIKeyQLIWARQCPNWMBZ-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.97
Rot. Bonds7

About 6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid

6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 23209285) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid
PubChem CID23209285
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid
SMILESCCOc1cc2c(Nc3ccc(Oc4ccccn4)cc3)c(C(=O)O)cnc2nc1C
InChIInChI=1S/C23H20N4O4/c1-3-30-19-12-17-21(18(23(28)29)13-25-22(17)26-14(19)2)27-15-7-9-16(10-8-15)31-20-6-4-5-11-24-20/h4-13H,3H2,1-2H3,(H,28,29)(H,25,26,27)
InChIKeyQLIWARQCPNWMBZ-UHFFFAOYSA-N
XLogP4.97
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-Methoxy-pyridin-3-yl)-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-ethoxy]-indol-1-yl}-propionic acid
CID 44399721
(4-Benzyloxy-phenyl)-(6-(5-(pyridin-3-ylaminomethyl)-furan-2-yl)-pyrido[3,4-d]pyrimidin-4-yl)-amine
CID 44531689
2-((5-(4-(4-(Benzyloxy)phenylamino)pyrido[3,4-d]pyrimidin-6-yl)furan-2-yl)methylamino)acetic acid
CID 44585507
Methyl 2-((5-(4-(4-(benzyloxy)phenylamino)pyrido[3,4-d]pyrimidin-6-yl)furan-2-yl)methylamino)acetate
CID 44585537
2-[[4,4-Dimethyl-13-(pyridin-3-ylmethylamino)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-8-yl]amino]ethanol
CID 56642530
1-{4-(2,6-Dimethyl-phenylamino)-8-[3-(pyridin-2-ylamino)-propoxy]-quinolin-3-yl}-butan-1-one
CID 11754397
Ethyl 8-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate
CID 15998972
3-(4-Phenoxyphenyl)-3-[[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]propanoic acid
CID 155518125
N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-ethoxy-2-pyridinyl)acetamide
CID 90684003
6'-(Hydroxymethyl)-2-morpholino-N-(4-(trifluoromethoxy)phenyl)-[3,3'-bipyridine]-5-carboxamide
CID 118195262
4-(4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)benzoic acid
CID 90178114
(7R)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one
CID 165380784

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid (CID 23209285) is 6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid is CCOc1cc2c(Nc3ccc(Oc4ccccn4)cc3)c(C(=O)O)cnc2nc1C.
What is the InChIKey of 6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is QLIWARQCPNWMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-3-30-19-12-17-21(18(23(28)29)13-25-22(17)26-14(19)2)27-15-7-9-16(10-8-15)31-20-6-4-5-11-24-20/h4-13H,3H2,1-2H3,(H,28,29)(H,25,26,27).
What are the key properties of 6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid?
6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 416.44 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-7-methyl-4-(4-pyridin-2-yloxyanilino)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 23209285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).