ethyl 6-[(2,6-dichloro-4-pyridinyl)amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C19H18Cl2N4O3 — CID 11223923

IUPACethyl 6-[(2,6-dichloro-4-pyridinyl)amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2nc(C)c(Nc3cc(Cl)nc(Cl)c3)cc2c1=O
InChIInChI=1S/C19H18Cl2N4O3/c1-4-25-9-13(19(27)28-5-2)17(26)12-8-14(10(3)22-18(12)25)23-11-6-15(20)24-16(21)7-11/h6-9H,4-5H2,1-3H3,(H,23,24)
InChIKeyGXQOQKYEJAGYEH-UHFFFAOYSA-N
MW421.28 g/mol
LogP4.35
Rot. Bonds5

About ethyl 6-[(2,6-dichloro-4-pyridinyl)amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

ethyl 6-[(2,6-dichloro-4-pyridinyl)amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 11223923) has the molecular formula C19H18Cl2N4O3 and a molecular weight of 421.28 g/mol. Its IUPAC name is ethyl 6-[(2,6-dichloro-4-pyridinyl)amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2,6-dichloro-4-pyridinyl)amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID11223923
Molecular FormulaC19H18Cl2N4O3
Molecular Weight421.28 g/mol
Exact Mass420.08
IUPAC Nameethyl 6-[(2,6-dichloro-4-pyridinyl)amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2nc(C)c(Nc3cc(Cl)nc(Cl)c3)cc2c1=O
InChIInChI=1S/C19H18Cl2N4O3/c1-4-25-9-13(19(27)28-5-2)17(26)12-8-14(10(3)22-18(12)25)23-11-6-15(20)24-16(21)7-11/h6-9H,4-5H2,1-3H3,(H,23,24)
InChIKeyGXQOQKYEJAGYEH-UHFFFAOYSA-N
XLogP4.35
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze ethyl 6-[(2,6-dichloro-4-pyridinyl)amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate
CID 15414746
ethyl 6-amino-1-ethyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxylate
CID 13041126
ethyl 7-ethenyl-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 15636889
ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 90120654
ethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+)
CID 20794343
(6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid
CID 140944007
[2-(3,5-dichloroanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 5039578
ethyl 6-chloro-7-cyano-1-ethyl-4-oxoquinoline-3-carboxylate
CID 15050577
2-oxopropyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3302196
ethyl 1-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 50790358
6-chloro-1-ethyl-4-oxo-1,7-naphthyridine-3-carboxylic acid;ethyl 6-chloro-1-ethyl-4-oxo-1,7-naphthyridine-3-carboxylate;methane;phosphane
CID 163541939
ethyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 12847897

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2,6-dichloro-4-pyridinyl)amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(2,6-dichloro-4-pyridinyl)amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 11223923) is ethyl 6-[(2,6-dichloro-4-pyridinyl)amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(2,6-dichloro-4-pyridinyl)amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(2,6-dichloro-4-pyridinyl)amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(CC)c2nc(C)c(Nc3cc(Cl)nc(Cl)c3)cc2c1=O.
What is the InChIKey of ethyl 6-[(2,6-dichloro-4-pyridinyl)amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is GXQOQKYEJAGYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O3/c1-4-25-9-13(19(27)28-5-2)17(26)12-8-14(10(3)22-18(12)25)23-11-6-15(20)24-16(21)7-11/h6-9H,4-5H2,1-3H3,(H,23,24).
What are the key properties of ethyl 6-[(2,6-dichloro-4-pyridinyl)amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 6-[(2,6-dichloro-4-pyridinyl)amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 421.28 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2,6-dichloro-4-pyridinyl)amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 11223923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).