2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol

C13H15N3O3 — CID 75520155

IUPAC2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol
SMILESCc1cc(NC(C)CO)c2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C13H15N3O3/c1-8-5-13(15-9(2)7-17)11-6-10(16(18)19)3-4-12(11)14-8/h3-6,9,17H,7H2,1-2H3,(H,14,15)
InChIKeyRNOQVSNGQLCKDL-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.24
Rot. Bonds4

About 2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol

2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol (PubChem CID 75520155) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol
PubChem CID75520155
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol
SMILESCc1cc(NC(C)CO)c2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C13H15N3O3/c1-8-5-13(15-9(2)7-17)11-6-10(16(18)19)3-4-12(11)14-8/h3-6,9,17H,7H2,1-2H3,(H,14,15)
InChIKeyRNOQVSNGQLCKDL-UHFFFAOYSA-N
XLogP2.24
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.24
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

2-ethoxy-N-(2-methyl-6-nitroquinolin-4-yl)propanamide
CID 86793222
(2R)-2-(2-fluoro-4-nitroanilino)propan-1-ol
CID 16659475
2-methyl-6-nitroquinoline-4-carboxylic acid
CID 16637250
2-methyl-6-nitroquinolin-4-amine
CID 11735841
N-(2-methyl-6-nitroquinolin-4-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 75507854
N-(2-methyl-6-nitroquinolin-4-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 75507851
4-methoxy-2-methyl-6-nitroquinoline
CID 46708178
N-(2-methyl-6-nitroquinolin-4-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86793217
N-(2-methyl-6-nitroquinolin-4-yl)furan-3-carboxamide
CID 75507864
2-methyl-6-nitroquinoline-4-carboxamide
CID 22397065
2-methyl-6-nitro-N-propylquinoline-4-carboxamide
CID 110489389
(2S)-3-methyl-2-[(6-nitroquinazolin-4-yl)amino]butan-1-ol
CID 79247487

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol?
The IUPAC name of 2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol (CID 75520155) is 2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol is Cc1cc(NC(C)CO)c2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of 2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol?
The InChIKey is RNOQVSNGQLCKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-5-13(15-9(2)7-17)11-6-10(16(18)19)3-4-12(11)14-8/h3-6,9,17H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol?
2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol has a molecular weight of 261.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 75520155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).