tert-butyl 4-chloro-1-(2-hydrazinylacetyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

C15H21ClN4O4 — CID 147472061

IUPACtert-butyl 4-chloro-1-(2-hydrazinylacetyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2c(c(Cl)cc(=O)n2C(=O)CNN)C1
InChIInChI=1S/C15H21ClN4O4/c1-15(2,3)24-14(23)19-5-4-11-9(8-19)10(16)6-12(21)20(11)13(22)7-18-17/h6,18H,4-5,7-8,17H2,1-3H3
InChIKeyFBYYPSJQLWGETF-UHFFFAOYSA-N
MW356.81 g/mol
LogP0.90
Rot. Bonds2

About tert-butyl 4-chloro-1-(2-hydrazinylacetyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

tert-butyl 4-chloro-1-(2-hydrazinylacetyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (PubChem CID 147472061) has the molecular formula C15H21ClN4O4 and a molecular weight of 356.81 g/mol. Its IUPAC name is tert-butyl 4-chloro-1-(2-hydrazinylacetyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-chloro-1-(2-hydrazinylacetyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
PubChem CID147472061
Molecular FormulaC15H21ClN4O4
Molecular Weight356.81 g/mol
Exact Mass356.13
IUPAC Nametert-butyl 4-chloro-1-(2-hydrazinylacetyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2c(c(Cl)cc(=O)n2C(=O)CNN)C1
InChIInChI=1S/C15H21ClN4O4/c1-15(2,3)24-14(23)19-5-4-11-9(8-19)10(16)6-12(21)20(11)13(22)7-18-17/h6,18H,4-5,7-8,17H2,1-3H3
InChIKeyFBYYPSJQLWGETF-UHFFFAOYSA-N
XLogP0.90
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl 4-chloro-1-(2-hydrazinylacetyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 1-tert-butyl-4-chloro-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 146878935
tert-butyl 6,7-dichloro-9-hydroxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
CID 176755327
tert-butyl 2-acetyl-4-chloro-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 167536503
tert-butyl 10-chloro-5-oxo-1,2,4,6-tetrahydropyrido[3,4-c][1,8]naphthyridine-3-carboxylate
CID 58564228
2-[8-chloro-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid
CID 11717557
tert-butyl 8,9-dichloro-6-(2-ethoxy-2-oxoethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate
CID 22396677
tert-butyl 2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate
CID 11499967
tert-butyl 1-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate;ethane
CID 171530601
ditert-butyl 2-formyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-1,5-dicarboxylate
CID 11152294
tert-butyl 1-benzyl-3-carbamoyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-5-carboxylate
CID 25117107
tert-butyl 3-methyl-1-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
CID 130214336
tert-butyl 3-[[(2-chloroacetyl)amino]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 146095040

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-chloro-1-(2-hydrazinylacetyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The IUPAC name of tert-butyl 4-chloro-1-(2-hydrazinylacetyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (CID 147472061) is tert-butyl 4-chloro-1-(2-hydrazinylacetyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 4-chloro-1-(2-hydrazinylacetyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The canonical SMILES for tert-butyl 4-chloro-1-(2-hydrazinylacetyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is CC(C)(C)OC(=O)N1CCc2c(c(Cl)cc(=O)n2C(=O)CNN)C1.
What is the InChIKey of tert-butyl 4-chloro-1-(2-hydrazinylacetyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The InChIKey is FBYYPSJQLWGETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O4/c1-15(2,3)24-14(23)19-5-4-11-9(8-19)10(16)6-12(21)20(11)13(22)7-18-17/h6,18H,4-5,7-8,17H2,1-3H3.
What are the key properties of tert-butyl 4-chloro-1-(2-hydrazinylacetyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
tert-butyl 4-chloro-1-(2-hydrazinylacetyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate has a molecular weight of 356.81 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-chloro-1-(2-hydrazinylacetyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is sourced from PubChem (CID 147472061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).