methyl 6-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate

C19H17ClN2O3 — CID 51897110

IUPACmethyl 6-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(=O)n([C@@H](C)c3ccc(Cl)cc3)ccc2nc1C
InChIInChI=1S/C19H17ClN2O3/c1-11-15(19(24)25-3)10-16-17(21-11)8-9-22(18(16)23)12(2)13-4-6-14(20)7-5-13/h4-10,12H,1-3H3/t12-/m0/s1
InChIKeyLBUXKIYKPFGCGF-LBPRGKRZSA-N
MW356.81 g/mol
LogP3.75
Rot. Bonds3

About methyl 6-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate

methyl 6-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate (PubChem CID 51897110) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is methyl 6-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
PubChem CID51897110
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Namemethyl 6-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(=O)n([C@@H](C)c3ccc(Cl)cc3)ccc2nc1C
InChIInChI=1S/C19H17ClN2O3/c1-11-15(19(24)25-3)10-16-17(21-11)8-9-22(18(16)23)12(2)13-4-6-14(20)7-5-13/h4-10,12H,1-3H3/t12-/m0/s1
InChIKeyLBUXKIYKPFGCGF-LBPRGKRZSA-N
XLogP3.75
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate with MolForge

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Related Compounds

methyl 6-cyclopropyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 43864520
methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 43864511
methyl 6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 20855188
methyl 2-methyl-5-oxo-6-(1,3-thiazol-2-yl)-1,6-naphthyridine-3-carboxylate
CID 25239675
methyl 7-[1-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
CID 66498661
5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid
CID 68669960
methyl 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 66501613
methyl 4-methyl-10-oxo-11-(1-phenylethyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate
CID 66504537
ethyl 6-(4-hydroxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 14666330
8-[1-(4-chlorophenyl)ethyl]-2-pyridin-2-ylpyrido[3,4-c][1,6]naphthyridine-1,7-dione
CID 66499478
methyl 5-[1-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495934
3-chloro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid
CID 162377384

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The IUPAC name of methyl 6-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate (CID 51897110) is methyl 6-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate is COC(=O)c1cc2c(=O)n([C@@H](C)c3ccc(Cl)cc3)ccc2nc1C.
What is the InChIKey of methyl 6-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The InChIKey is LBUXKIYKPFGCGF-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-11-15(19(24)25-3)10-16-17(21-11)8-9-22(18(16)23)12(2)13-4-6-14(20)7-5-13/h4-10,12H,1-3H3/t12-/m0/s1.
What are the key properties of methyl 6-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
methyl 6-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate has a molecular weight of 356.81 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 51897110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).