1-hydroxy-2-methyl-3-propan-2-ylquinolin-1-ium

C13H16NO+ — CID 144871797

IUPAC1-hydroxy-2-methyl-3-propan-2-ylquinolin-1-ium
SMILESCc1c(C(C)C)cc2ccccc2[n+]1O
InChIInChI=1S/C13H16NO/c1-9(2)12-8-11-6-4-5-7-13(11)14(15)10(12)3/h4-9,15H,1-3H3/q+1
InChIKeyKFDHHMKSNFBVBY-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.80
Rot. Bonds1

About 1-hydroxy-2-methyl-3-propan-2-ylquinolin-1-ium

1-hydroxy-2-methyl-3-propan-2-ylquinolin-1-ium (PubChem CID 144871797) has the molecular formula C13H16NO+ and a molecular weight of 202.28 g/mol. Its IUPAC name is 1-hydroxy-2-methyl-3-propan-2-ylquinolin-1-ium.

Molecular Properties

Compound Name1-hydroxy-2-methyl-3-propan-2-ylquinolin-1-ium
PubChem CID144871797
Molecular FormulaC13H16NO+
Molecular Weight202.28 g/mol
Exact Mass202.12
IUPAC Name1-hydroxy-2-methyl-3-propan-2-ylquinolin-1-ium
SMILESCc1c(C(C)C)cc2ccccc2[n+]1O
InChIInChI=1S/C13H16NO/c1-9(2)12-8-11-6-4-5-7-13(11)14(15)10(12)3/h4-9,15H,1-3H3/q+1
InChIKeyKFDHHMKSNFBVBY-UHFFFAOYSA-N
XLogP2.80
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-hydroxy-2-methyl-3-propan-2-ylquinolin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-hydroxy-2-methyl-3-propan-2-ylquinolin-1-ium
CID 144871796
10-propan-2-ylacridin-10-ium
CID 101440636
(3-propan-2-ylnaphthalen-2-yl)methanol
CID 118520230
2-chloro-3-propan-2-ylnaphthalene
CID 122693592
1,2,3-trimethylquinolin-1-ium chloride
CID 134987005
6-propan-2-ylbenzo[a]anthracene
CID 90474215
4,9-di(propan-2-yl)pyrene
CID 145027852
ethane;1-methyl-4-propan-2-ylanthracene
CID 144783014
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
benzene;ethane;bis(2-methylpropane);naphthalene
CID 159562136
anthracene;2-methylpropane
CID 142471530
naphthalene;bis(1,3,5-trimethylbenzene)
CID 158615214

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-methyl-3-propan-2-ylquinolin-1-ium?
The IUPAC name of 1-hydroxy-2-methyl-3-propan-2-ylquinolin-1-ium (CID 144871797) is 1-hydroxy-2-methyl-3-propan-2-ylquinolin-1-ium.
What is the SMILES notation for 1-hydroxy-2-methyl-3-propan-2-ylquinolin-1-ium?
The canonical SMILES for 1-hydroxy-2-methyl-3-propan-2-ylquinolin-1-ium is Cc1c(C(C)C)cc2ccccc2[n+]1O.
What is the InChIKey of 1-hydroxy-2-methyl-3-propan-2-ylquinolin-1-ium?
The InChIKey is KFDHHMKSNFBVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16NO/c1-9(2)12-8-11-6-4-5-7-13(11)14(15)10(12)3/h4-9,15H,1-3H3/q+1.
What are the key properties of 1-hydroxy-2-methyl-3-propan-2-ylquinolin-1-ium?
1-hydroxy-2-methyl-3-propan-2-ylquinolin-1-ium has a molecular weight of 202.28 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-methyl-3-propan-2-ylquinolin-1-ium is sourced from PubChem (CID 144871797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).