(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)azanium

C14H19N2O2+ — CID 7107761

IUPAC(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)azanium
SMILESCc1cc(C)c2[nH]c(=O)c(C[NH2+]CCO)cc2c1
InChIInChI=1S/C14H18N2O2/c1-9-5-10(2)13-11(6-9)7-12(14(18)16-13)8-15-3-4-17/h5-7,15,17H,3-4,8H2,1-2H3,(H,16,18)/p+1
InChIKeyYKVUAYJCVLWXNS-UHFFFAOYSA-O
MW247.32 g/mol
LogP0.20
Rot. Bonds4

About (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)azanium

(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)azanium (PubChem CID 7107761) has the molecular formula C14H19N2O2+ and a molecular weight of 247.32 g/mol. Its IUPAC name is (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)azanium
PubChem CID7107761
Molecular FormulaC14H19N2O2+
Molecular Weight247.32 g/mol
Exact Mass247.14
IUPAC Name(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)azanium
SMILESCc1cc(C)c2[nH]c(=O)c(C[NH2+]CCO)cc2c1
InChIInChI=1S/C14H18N2O2/c1-9-5-10(2)13-11(6-9)7-12(14(18)16-13)8-15-3-4-17/h5-7,15,17H,3-4,8H2,1-2H3,(H,16,18)/p+1
InChIKeyYKVUAYJCVLWXNS-UHFFFAOYSA-O
XLogP0.20
TPSA69.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one
CID 6487599
N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331576
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylbutanamide
CID 110325256
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
CID 69447803
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide
CID 110326306
N-cyclopentyl-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 856997
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 69445167
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)cyclohexanecarboxamide
CID 3193976
N-cyclopentyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331527
3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 864735
3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 56717632
6,8-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinolin-2-one
CID 110331533

Frequently Asked Questions

What is the IUPAC name of (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)azanium?
The IUPAC name of (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)azanium (CID 7107761) is (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)azanium.
What is the SMILES notation for (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)azanium?
The canonical SMILES for (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)azanium is Cc1cc(C)c2[nH]c(=O)c(C[NH2+]CCO)cc2c1.
What is the InChIKey of (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)azanium?
The InChIKey is YKVUAYJCVLWXNS-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18N2O2/c1-9-5-10(2)13-11(6-9)7-12(14(18)16-13)8-15-3-4-17/h5-7,15,17H,3-4,8H2,1-2H3,(H,16,18)/p+1.
What are the key properties of (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)azanium?
(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)azanium has a molecular weight of 247.32 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)azanium is sourced from PubChem (CID 7107761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).