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

C13H15N3O3 — CID 104553730

IUPAC2-[methyl-(8-nitroquinolin-4-yl)amino]propan-1-ol
SMILESCC(CO)N(C)c1ccnc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C13H15N3O3/c1-9(8-17)15(2)11-6-7-14-13-10(11)4-3-5-12(13)16(18)19/h3-7,9,17H,8H2,1-2H3
InChIKeyOFPHNGAPXZKRBB-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.96
Rot. Bonds4

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

2-[methyl-(8-nitroquinolin-4-yl)amino]propan-1-ol (PubChem CID 104553730) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[methyl-(8-nitroquinolin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[methyl-(8-nitroquinolin-4-yl)amino]propan-1-ol
PubChem CID104553730
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-[methyl-(8-nitroquinolin-4-yl)amino]propan-1-ol
SMILESCC(CO)N(C)c1ccnc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C13H15N3O3/c1-9(8-17)15(2)11-6-7-14-13-10(11)4-3-5-12(13)16(18)19/h3-7,9,17H,8H2,1-2H3
InChIKeyOFPHNGAPXZKRBB-UHFFFAOYSA-N
XLogP1.96
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
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

2-[(8-nitroquinolin-4-yl)-propan-2-ylamino]ethanol
CID 83060643
2-[2,2-difluoroethyl-(8-nitroquinolin-4-yl)amino]ethanol
CID 107484119
2-[(8-nitroquinolin-4-yl)amino]butan-1-ol
CID 83061011
2-[cyclobutyl-(8-nitroquinolin-4-yl)amino]ethanol
CID 102869017
4-[(8-nitroquinolin-4-yl)amino]pentan-1-ol
CID 83060786
8-nitro-N-pentan-3-ylquinolin-4-amine
CID 83060706
2-(8-nitroquinolin-4-yl)butanoic acid
CID 113428090
2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 83066709
(2R)-2-(4-bromo-N-methyl-2-nitroanilino)propan-1-ol
CID 97020173
N-(2-methylbutyl)-8-nitroquinolin-4-amine
CID 83061235
N-(1-methylsulfonylpropan-2-yl)-8-nitroquinolin-4-amine
CID 83067027
3-(8-nitroquinolin-4-yl)-N-propylbutan-2-amine
CID 83067409

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(8-nitroquinolin-4-yl)amino]propan-1-ol?
The IUPAC name of 2-[methyl-(8-nitroquinolin-4-yl)amino]propan-1-ol (CID 104553730) is 2-[methyl-(8-nitroquinolin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[methyl-(8-nitroquinolin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-[methyl-(8-nitroquinolin-4-yl)amino]propan-1-ol is CC(CO)N(C)c1ccnc2c([N+](=O)[O-])cccc12.
What is the InChIKey of 2-[methyl-(8-nitroquinolin-4-yl)amino]propan-1-ol?
The InChIKey is OFPHNGAPXZKRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9(8-17)15(2)11-6-7-14-13-10(11)4-3-5-12(13)16(18)19/h3-7,9,17H,8H2,1-2H3.
What are the key properties of 2-[methyl-(8-nitroquinolin-4-yl)amino]propan-1-ol?
2-[methyl-(8-nitroquinolin-4-yl)amino]propan-1-ol has a molecular weight of 261.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(8-nitroquinolin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 104553730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).