2-methyl-1-[(8-nitroquinolin-4-yl)amino]pentan-2-ol

C15H19N3O3 — CID 106290733

IUPAC2-methyl-1-[(8-nitroquinolin-4-yl)amino]pentan-2-ol
SMILESCCCC(C)(O)CNc1ccnc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C15H19N3O3/c1-3-8-15(2,19)10-17-12-7-9-16-14-11(12)5-4-6-13(14)18(20)21/h4-7,9,19H,3,8,10H2,1-2H3,(H,16,17)
InChIKeyWQLOEMVDPGBNLY-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.11
Rot. Bonds6

About 2-methyl-1-[(8-nitroquinolin-4-yl)amino]pentan-2-ol

2-methyl-1-[(8-nitroquinolin-4-yl)amino]pentan-2-ol (PubChem CID 106290733) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-methyl-1-[(8-nitroquinolin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(8-nitroquinolin-4-yl)amino]pentan-2-ol
PubChem CID106290733
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-methyl-1-[(8-nitroquinolin-4-yl)amino]pentan-2-ol
SMILESCCCC(C)(O)CNc1ccnc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C15H19N3O3/c1-3-8-15(2,19)10-17-12-7-9-16-14-11(12)5-4-6-13(14)18(20)21/h4-7,9,19H,3,8,10H2,1-2H3,(H,16,17)
InChIKeyWQLOEMVDPGBNLY-UHFFFAOYSA-N
XLogP3.11
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(8-aminoquinolin-4-yl)amino]-2-methylpentan-2-ol
CID 106290123
2-methyl-1-(2-nitroanilino)pentan-2-ol
CID 113234749
N-(2-methylbutyl)-8-nitroquinolin-4-amine
CID 83061235
4-[(8-nitroquinolin-4-yl)amino]butan-1-ol
CID 106842695
8-nitro-N-pentan-3-ylquinolin-4-amine
CID 83060706
2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 83066709
4-[(8-nitroquinolin-4-yl)amino]butanoic acid
CID 83060998
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-8-nitroquinolin-4-amine
CID 106373840
N-but-3-enyl-8-nitroquinolin-4-amine
CID 113465769
2-ethyl-1-N-(8-nitroquinolin-5-yl)butane-1,2-diamine
CID 115306174
2-[(8-nitroquinolin-4-yl)amino]butan-1-ol
CID 83061011
8-nitro-N-(2H-tetrazol-5-ylmethyl)quinolin-4-amine
CID 83066870

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(8-nitroquinolin-4-yl)amino]pentan-2-ol?
The IUPAC name of 2-methyl-1-[(8-nitroquinolin-4-yl)amino]pentan-2-ol (CID 106290733) is 2-methyl-1-[(8-nitroquinolin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 2-methyl-1-[(8-nitroquinolin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 2-methyl-1-[(8-nitroquinolin-4-yl)amino]pentan-2-ol is CCCC(C)(O)CNc1ccnc2c([N+](=O)[O-])cccc12.
What is the InChIKey of 2-methyl-1-[(8-nitroquinolin-4-yl)amino]pentan-2-ol?
The InChIKey is WQLOEMVDPGBNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-8-15(2,19)10-17-12-7-9-16-14-11(12)5-4-6-13(14)18(20)21/h4-7,9,19H,3,8,10H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-1-[(8-nitroquinolin-4-yl)amino]pentan-2-ol?
2-methyl-1-[(8-nitroquinolin-4-yl)amino]pentan-2-ol has a molecular weight of 289.33 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(8-nitroquinolin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 106290733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).