butyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)azanide

C13H19N2O- — CID 22890958

IUPACbutyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)azanide
SMILESCCCC[N-]C1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C13H19N2O/c1-2-3-9-14-11-5-4-6-12-10(11)7-8-13(16)15-12/h7-8,11H,2-6,9H2,1H3,(H,15,16)/q-1
InChIKeyUILAWHIRKICMJL-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.93
Rot. Bonds4

About butyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)azanide

butyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)azanide (PubChem CID 22890958) has the molecular formula C13H19N2O- and a molecular weight of 219.31 g/mol. Its IUPAC name is butyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)azanide.

Molecular Properties

Compound Namebutyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)azanide
PubChem CID22890958
Molecular FormulaC13H19N2O-
Molecular Weight219.31 g/mol
Exact Mass219.15
IUPAC Namebutyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)azanide
SMILESCCCC[N-]C1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C13H19N2O/c1-2-3-9-14-11-5-4-6-12-10(11)7-8-13(16)15-12/h7-8,11H,2-6,9H2,1H3,(H,15,16)/q-1
InChIKeyUILAWHIRKICMJL-UHFFFAOYSA-N
XLogP2.93
TPSA46.96 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)azanide?
The IUPAC name of butyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)azanide (CID 22890958) is butyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)azanide.
What is the SMILES notation for butyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)azanide?
The canonical SMILES for butyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)azanide is CCCC[N-]C1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of butyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)azanide?
The InChIKey is UILAWHIRKICMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N2O/c1-2-3-9-14-11-5-4-6-12-10(11)7-8-13(16)15-12/h7-8,11H,2-6,9H2,1H3,(H,15,16)/q-1.
What are the key properties of butyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)azanide?
butyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)azanide has a molecular weight of 219.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)azanide is sourced from PubChem (CID 22890958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).