ethyl 6-(2-aminophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate

C18H17N3O3 — CID 639609

IUPACethyl 6-(2-aminophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(=O)n(-c3ccccc3N)ccc2nc1C
InChIInChI=1S/C18H17N3O3/c1-3-24-18(23)12-10-13-15(20-11(12)2)8-9-21(17(13)22)16-7-5-4-6-14(16)19/h4-10H,3,19H2,1-2H3
InChIKeyCICPNJCYPDMCBQ-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.45
Rot. Bonds3

About ethyl 6-(2-aminophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate

ethyl 6-(2-aminophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate (PubChem CID 639609) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 6-(2-aminophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-aminophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
PubChem CID639609
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Nameethyl 6-(2-aminophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(=O)n(-c3ccccc3N)ccc2nc1C
InChIInChI=1S/C18H17N3O3/c1-3-24-18(23)12-10-13-15(20-11(12)2)8-9-21(17(13)22)16-7-5-4-6-14(16)19/h4-10H,3,19H2,1-2H3
InChIKeyCICPNJCYPDMCBQ-UHFFFAOYSA-N
XLogP2.45
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-(4-hydroxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 14666330
ethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate
CID 14666346
ethyl 6-[(3,4-difluorophenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 169248811
ethyl 5-methyl-6,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-4-carboxylate
CID 14867812
[5-[(3-ethoxycarbonyl-2-methyl-5-oxo-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methyl 2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxylate
CID 169248834
ethyl 2,3,7-trimethyl-4-oxoquinazoline-6-carboxylate
CID 170904363
methyl 2-methyl-5-oxo-6-(1,3-thiazol-2-yl)-1,6-naphthyridine-3-carboxylate
CID 25239675
methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 43864511
ethyl 5,6-diamino-2-methylpyridine-3-carboxylate
CID 170959467
methyl 6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 20855188
ethyl 1-benzyl-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 66490706
ethyl 4-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene-5-carboxylate
CID 86059330

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-aminophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2-aminophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate (CID 639609) is ethyl 6-(2-aminophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2-aminophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2-aminophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate is CCOC(=O)c1cc2c(=O)n(-c3ccccc3N)ccc2nc1C.
What is the InChIKey of ethyl 6-(2-aminophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The InChIKey is CICPNJCYPDMCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-3-24-18(23)12-10-13-15(20-11(12)2)8-9-21(17(13)22)16-7-5-4-6-14(16)19/h4-10H,3,19H2,1-2H3.
What are the key properties of ethyl 6-(2-aminophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
ethyl 6-(2-aminophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-aminophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 639609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).