ethyl 1-[(2-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C19H17ClN2O3 — CID 20940936

IUPACethyl 1-[(2-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(Cc2ccccc2Cl)c2nc(C)ccc2c1=O
InChIInChI=1S/C19H17ClN2O3/c1-3-25-19(24)15-11-22(10-13-6-4-5-7-16(13)20)18-14(17(15)23)9-8-12(2)21-18/h4-9,11H,3,10H2,1-2H3
InChIKeyUCGPCNQDXUDAKN-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.58
Rot. Bonds4

About ethyl 1-[(2-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

ethyl 1-[(2-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 20940936) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is ethyl 1-[(2-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID20940936
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Nameethyl 1-[(2-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(Cc2ccccc2Cl)c2nc(C)ccc2c1=O
InChIInChI=1S/C19H17ClN2O3/c1-3-25-19(24)15-11-22(10-13-6-4-5-7-16(13)20)18-14(17(15)23)9-8-12(2)21-18/h4-9,11H,3,10H2,1-2H3
InChIKeyUCGPCNQDXUDAKN-UHFFFAOYSA-N
XLogP3.58
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-[(2-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 20940936) is ethyl 1-[(2-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(2-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-[(2-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(Cc2ccccc2Cl)c2nc(C)ccc2c1=O.
What is the InChIKey of ethyl 1-[(2-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is UCGPCNQDXUDAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-3-25-19(24)15-11-22(10-13-6-4-5-7-16(13)20)18-14(17(15)23)9-8-12(2)21-18/h4-9,11H,3,10H2,1-2H3.
What are the key properties of ethyl 1-[(2-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 1-[(2-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 356.81 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 20940936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).