tert-butyl 10-chloro-5-oxo-1,2,4,6-tetrahydropyrido[3,4-c][1,8]naphthyridine-3-carboxylate

C16H18ClN3O3 — CID 58564228

IUPACtert-butyl 10-chloro-5-oxo-1,2,4,6-tetrahydropyrido[3,4-c][1,8]naphthyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2c(c(=O)[nH]c3nccc(Cl)c23)C1
InChIInChI=1S/C16H18ClN3O3/c1-16(2,3)23-15(22)20-7-5-9-10(8-20)14(21)19-13-12(9)11(17)4-6-18-13/h4,6H,5,7-8H2,1-3H3,(H,18,19,21)
InChIKeyFTWDQGAMMJBIQA-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.87
Rot. Bonds

About tert-butyl 10-chloro-5-oxo-1,2,4,6-tetrahydropyrido[3,4-c][1,8]naphthyridine-3-carboxylate

tert-butyl 10-chloro-5-oxo-1,2,4,6-tetrahydropyrido[3,4-c][1,8]naphthyridine-3-carboxylate (PubChem CID 58564228) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is tert-butyl 10-chloro-5-oxo-1,2,4,6-tetrahydropyrido[3,4-c][1,8]naphthyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 10-chloro-5-oxo-1,2,4,6-tetrahydropyrido[3,4-c][1,8]naphthyridine-3-carboxylate
PubChem CID58564228
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Nametert-butyl 10-chloro-5-oxo-1,2,4,6-tetrahydropyrido[3,4-c][1,8]naphthyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2c(c(=O)[nH]c3nccc(Cl)c23)C1
InChIInChI=1S/C16H18ClN3O3/c1-16(2,3)23-15(22)20-7-5-9-10(8-20)14(21)19-13-12(9)11(17)4-6-18-13/h4,6H,5,7-8H2,1-3H3,(H,18,19,21)
InChIKeyFTWDQGAMMJBIQA-UHFFFAOYSA-N
XLogP2.87
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 10-chloro-5-oxo-1,2,4,6-tetrahydropyrido[3,4-c][1,8]naphthyridine-3-carboxylate with MolForge

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Related Compounds

tert-butyl 2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate
CID 11499967
tert-butyl 4-iodo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 130120542
tert-butyl 5-oxo-1,3,4,6-tetrahydro-2,6-naphthyridine-2-carboxylate
CID 45480473
tert-butyl 1-tert-butyl-4-chloro-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 146878935
tert-butyl 4-oxo-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate
CID 142599668
tert-butyl 4-chloro-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-12-carboxylate
CID 162388693
tert-butyl 4-(2-azaspiro[3.3]heptan-6-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 176925078
tert-butyl 7-chloro-10-fluoro-11-oxo-2,4,5,6-tetrahydro-1H-azepino[4,5-b]quinoline-3-carboxylate
CID 118902514
1-O-tert-butyl 5-O-methyl 4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
CID 46855924
tert-butyl 2-acetyl-4-chloro-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 167536503
tert-butyl 3-oxopiperazine-1-carboxylate;pyrazine
CID 158092707
tert-butyl 7-(4-chloro-2-iodosulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 146411932

Frequently Asked Questions

What is the IUPAC name of tert-butyl 10-chloro-5-oxo-1,2,4,6-tetrahydropyrido[3,4-c][1,8]naphthyridine-3-carboxylate?
The IUPAC name of tert-butyl 10-chloro-5-oxo-1,2,4,6-tetrahydropyrido[3,4-c][1,8]naphthyridine-3-carboxylate (CID 58564228) is tert-butyl 10-chloro-5-oxo-1,2,4,6-tetrahydropyrido[3,4-c][1,8]naphthyridine-3-carboxylate.
What is the SMILES notation for tert-butyl 10-chloro-5-oxo-1,2,4,6-tetrahydropyrido[3,4-c][1,8]naphthyridine-3-carboxylate?
The canonical SMILES for tert-butyl 10-chloro-5-oxo-1,2,4,6-tetrahydropyrido[3,4-c][1,8]naphthyridine-3-carboxylate is CC(C)(C)OC(=O)N1CCc2c(c(=O)[nH]c3nccc(Cl)c23)C1.
What is the InChIKey of tert-butyl 10-chloro-5-oxo-1,2,4,6-tetrahydropyrido[3,4-c][1,8]naphthyridine-3-carboxylate?
The InChIKey is FTWDQGAMMJBIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-16(2,3)23-15(22)20-7-5-9-10(8-20)14(21)19-13-12(9)11(17)4-6-18-13/h4,6H,5,7-8H2,1-3H3,(H,18,19,21).
What are the key properties of tert-butyl 10-chloro-5-oxo-1,2,4,6-tetrahydropyrido[3,4-c][1,8]naphthyridine-3-carboxylate?
tert-butyl 10-chloro-5-oxo-1,2,4,6-tetrahydropyrido[3,4-c][1,8]naphthyridine-3-carboxylate has a molecular weight of 335.79 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 10-chloro-5-oxo-1,2,4,6-tetrahydropyrido[3,4-c][1,8]naphthyridine-3-carboxylate is sourced from PubChem (CID 58564228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).