2-amino-4-methyl-5-nitroquinolin-8-ol

C10H9N3O3 — CID 57011206

IUPAC2-amino-4-methyl-5-nitroquinolin-8-ol
SMILESCc1cc(N)nc2c(O)ccc([N+](=O)[O-])c12
InChIInChI=1S/C10H9N3O3/c1-5-4-8(11)12-10-7(14)3-2-6(9(5)10)13(15)16/h2-4,14H,1H3,(H2,11,12)
InChIKeyCMUPLONVFOBZCN-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.74
Rot. Bonds1

About 2-amino-4-methyl-5-nitroquinolin-8-ol

2-amino-4-methyl-5-nitroquinolin-8-ol (PubChem CID 57011206) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-amino-4-methyl-5-nitroquinolin-8-ol.

Molecular Properties

Compound Name2-amino-4-methyl-5-nitroquinolin-8-ol
PubChem CID57011206
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name2-amino-4-methyl-5-nitroquinolin-8-ol
SMILESCc1cc(N)nc2c(O)ccc([N+](=O)[O-])c12
InChIInChI=1S/C10H9N3O3/c1-5-4-8(11)12-10-7(14)3-2-6(9(5)10)13(15)16/h2-4,14H,1H3,(H2,11,12)
InChIKeyCMUPLONVFOBZCN-UHFFFAOYSA-N
XLogP1.74
TPSA102.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.74
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

4-amino-2-methyl-5-nitroquinolin-8-ol
CID 69366706
2-amino-3-methyl-4-nitrophenol
CID 86240740
2-amino-5-methyl-4-nitrophenol
CID 12781867
2-methyl-4-nitrobenzene-1,3-diol;hydrochloride
CID 174916227
2-methyl-5-nitroquinolin-8-amine
CID 114289442
6-methyl-2-[(3-methyl-4-nitroanilino)methyl]pyridin-3-ol
CID 79150682
3-methyl-6-nitrobenzene-1,2-diol
CID 45121162
3-methyl-6-nitrobenzene-1,2-diamine
CID 54544550
6-methyl-3-nitropyridin-2-amine;6-methylpyridin-2-amine
CID 158471946
3-amino-4-nitrophenol;ethane
CID 142035460
5-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-2-nitrophenol
CID 69157141
4-(3-methyl-4-nitrophenoxy)pyridin-2-amine
CID 23153294

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-5-nitroquinolin-8-ol?
The IUPAC name of 2-amino-4-methyl-5-nitroquinolin-8-ol (CID 57011206) is 2-amino-4-methyl-5-nitroquinolin-8-ol.
What is the SMILES notation for 2-amino-4-methyl-5-nitroquinolin-8-ol?
The canonical SMILES for 2-amino-4-methyl-5-nitroquinolin-8-ol is Cc1cc(N)nc2c(O)ccc([N+](=O)[O-])c12.
What is the InChIKey of 2-amino-4-methyl-5-nitroquinolin-8-ol?
The InChIKey is CMUPLONVFOBZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-5-4-8(11)12-10-7(14)3-2-6(9(5)10)13(15)16/h2-4,14H,1H3,(H2,11,12).
What are the key properties of 2-amino-4-methyl-5-nitroquinolin-8-ol?
2-amino-4-methyl-5-nitroquinolin-8-ol has a molecular weight of 219.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-5-nitroquinolin-8-ol is sourced from PubChem (CID 57011206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).