4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-ol

C15H18N2O3 — CID 63200961

IUPAC4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-ol
SMILESCC(C)C(c1ccc2cc([N+](=O)[O-])ccc2n1)C(C)O
InChIInChI=1S/C15H18N2O3/c1-9(2)15(10(3)18)14-6-4-11-8-12(17(19)20)5-7-13(11)16-14/h4-10,15,18H,1-3H3
InChIKeyHZONGZPHXLLQFJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.26
Rot. Bonds4

About 4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-ol

4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-ol (PubChem CID 63200961) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-ol
PubChem CID63200961
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-ol
SMILESCC(C)C(c1ccc2cc([N+](=O)[O-])ccc2n1)C(C)O
InChIInChI=1S/C15H18N2O3/c1-9(2)15(10(3)18)14-6-4-11-8-12(17(19)20)5-7-13(11)16-14/h4-10,15,18H,1-3H3
InChIKeyHZONGZPHXLLQFJ-UHFFFAOYSA-N
XLogP3.26
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-ol 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

4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine
CID 63197337
2-(6-nitroquinolin-2-yl)pentanoic acid
CID 104571904
N-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine
CID 63200183
4-methyl-3-(3-nitrophenyl)pentan-2-ol
CID 56637223
1-(7-nitroquinolin-3-yl)ethanol
CID 133054214
1-(6-nitroquinolin-2-yl)butan-2-ol
CID 63201553
2-(6-nitroquinolin-2-yl)sulfanylpropanoic acid
CID 43450803
2-(2-methylpropoxy)-6-nitroquinoline
CID 155587922
3-(3-nitrophenyl)pentane-2,4-diol
CID 10376360
N'-ethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 114900667
N-(3-methylbutyl)-6-nitroquinolin-2-amine
CID 43450897
N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine
CID 113485576

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-ol?
The IUPAC name of 4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-ol (CID 63200961) is 4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-ol.
What is the SMILES notation for 4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-ol?
The canonical SMILES for 4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-ol is CC(C)C(c1ccc2cc([N+](=O)[O-])ccc2n1)C(C)O.
What is the InChIKey of 4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-ol?
The InChIKey is HZONGZPHXLLQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9(2)15(10(3)18)14-6-4-11-8-12(17(19)20)5-7-13(11)16-14/h4-10,15,18H,1-3H3.
What are the key properties of 4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-ol?
4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-ol has a molecular weight of 274.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-ol is sourced from PubChem (CID 63200961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).