butyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium

C14H19N2O+ — CID 2014669

IUPACbutyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium
SMILESCCCC[NH2+]Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C14H18N2O/c1-2-3-8-15-10-12-9-11-6-4-5-7-13(11)16-14(12)17/h4-7,9,15H,2-3,8,10H2,1H3,(H,16,17)/p+1
InChIKeyHFAKGWFHRDAKQY-UHFFFAOYSA-O
MW231.32 g/mol
LogP1.39
Rot. Bonds5

About butyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium

butyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium (PubChem CID 2014669) has the molecular formula C14H19N2O+ and a molecular weight of 231.32 g/mol. Its IUPAC name is butyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium.

Molecular Properties

Compound Namebutyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium
PubChem CID2014669
Molecular FormulaC14H19N2O+
Molecular Weight231.32 g/mol
Exact Mass231.15
IUPAC Namebutyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium
SMILESCCCC[NH2+]Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C14H18N2O/c1-2-3-8-15-10-12-9-11-6-4-5-7-13(11)16-14(12)17/h4-7,9,15H,2-3,8,10H2,1H3,(H,16,17)/p+1
InChIKeyHFAKGWFHRDAKQY-UHFFFAOYSA-O
XLogP1.39
TPSA49.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(10-pentoxydecyl)-1H-quinolin-2-one
CID 139729721
3-(3-propoxypropyl)-1H-quinolin-2-one
CID 141362914
hexyl 2-(2-oxo-1H-quinolin-3-yl)acetate
CID 102076314
(2-oxo-1H-quinolin-3-yl)methyl pentanoate
CID 17101124
benzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7447354
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 942796
N-butyl-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 2067764
N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 3159257
(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7107864
2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methylazaniumyl]ethyl-dimethylazanium
CID 7108504
3-[(N-ethyl-4-methoxyanilino)methyl]-1H-quinolin-2-one
CID 23607643
N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 945290

Frequently Asked Questions

What is the IUPAC name of butyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium?
The IUPAC name of butyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium (CID 2014669) is butyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium.
What is the SMILES notation for butyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium?
The canonical SMILES for butyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium is CCCC[NH2+]Cc1cc2ccccc2[nH]c1=O.
What is the InChIKey of butyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium?
The InChIKey is HFAKGWFHRDAKQY-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18N2O/c1-2-3-8-15-10-12-9-11-6-4-5-7-13(11)16-14(12)17/h4-7,9,15H,2-3,8,10H2,1H3,(H,16,17)/p+1.
What are the key properties of butyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium?
butyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium has a molecular weight of 231.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium is sourced from PubChem (CID 2014669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).