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

C19H17ClN2O3 — CID 50790358

IUPACethyl 1-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(Cc2ccc(Cl)cc2)c2nc(C)ccc2c1=O
InChIInChI=1S/C19H17ClN2O3/c1-3-25-19(24)16-11-22(10-13-5-7-14(20)8-6-13)18-15(17(16)23)9-4-12(2)21-18/h4-9,11H,3,10H2,1-2H3
InChIKeyKUTVZJQIEJQPHA-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.58
Rot. Bonds4

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

ethyl 1-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 50790358) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is ethyl 1-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID50790358
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Nameethyl 1-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(Cc2ccc(Cl)cc2)c2nc(C)ccc2c1=O
InChIInChI=1S/C19H17ClN2O3/c1-3-25-19(24)16-11-22(10-13-5-7-14(20)8-6-13)18-15(17(16)23)9-4-12(2)21-18/h4-9,11H,3,10H2,1-2H3
InChIKeyKUTVZJQIEJQPHA-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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Related Compounds

ethyl 1-[(2-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940937
2-(4-chlorophenoxy)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3499151
ethyl 1-[(2,5-dimethylphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940935
ethyl 7-methyl-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylate
CID 84584071
ethyl 7-methyl-1-(1,2-oxazol-3-ylmethyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 86777733
ethyl 7-methyl-1-[(2-methylpyrazol-3-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate
CID 75471596
ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940891
ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 600067
ethyl 1-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940917
ethyl 1-[2-(2,5-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940896
ethyl 1-[(4-chlorophenyl)methyl]-6,7-dimethoxy-4-oxoquinoline-3-carboxylate
CID 53324666
(4-fluorophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 974021

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 50790358) is ethyl 1-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(Cc2ccc(Cl)cc2)c2nc(C)ccc2c1=O.
What is the InChIKey of ethyl 1-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is KUTVZJQIEJQPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-3-25-19(24)16-11-22(10-13-5-7-14(20)8-6-13)18-15(17(16)23)9-4-12(2)21-18/h4-9,11H,3,10H2,1-2H3.
What are the key properties of ethyl 1-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 1-[(4-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-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 50790358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).