1-methyl-6-nitro-2H-quinolin-3-ol

C10H10N2O3 — CID 175932717

IUPAC1-methyl-6-nitro-2H-quinolin-3-ol
SMILESCN1CC(O)=Cc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C10H10N2O3/c1-11-6-9(13)5-7-4-8(12(14)15)2-3-10(7)11/h2-5,13H,6H2,1H3
InChIKeyCLIMNYSFIBLYTI-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.94
Rot. Bonds1

About 1-methyl-6-nitro-2H-quinolin-3-ol

1-methyl-6-nitro-2H-quinolin-3-ol (PubChem CID 175932717) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1-methyl-6-nitro-2H-quinolin-3-ol.

Molecular Properties

Compound Name1-methyl-6-nitro-2H-quinolin-3-ol
PubChem CID175932717
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name1-methyl-6-nitro-2H-quinolin-3-ol
SMILESCN1CC(O)=Cc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C10H10N2O3/c1-11-6-9(13)5-7-4-8(12(14)15)2-3-10(7)11/h2-5,13H,6H2,1H3
InChIKeyCLIMNYSFIBLYTI-UHFFFAOYSA-N
XLogP1.94
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[2-(diethylamino)ethyl]-6-nitro-2H-quinoline-3-carboxylate
CID 134147820
2-iodo-1-methyl-5-nitro-2,1-benzothiazole
CID 134938491
1,4-bis(2-chloro-4-nitrophenyl)piperazine
CID 3829099
4-nitro-1,8-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
CID 600712
1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]ethanone
CID 2887588
2-methyl-4-nitrophenol;molecular nitrogen
CID 166479227
2-methyl-5-nitro-1H-indene
CID 160884843
5,10-dimethyl-2,8-dinitrophenophosphazinine
CID 71370251
(3aR,7aS)-2-(2-hydroxy-4-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 27895026
2,4,4-trimethyl-7-nitro-3H-isoquinolin-2-ium iodide
CID 15529752
3-chloro-1-methyl-6-nitro-2,3-dihydroindole
CID 21191342
3-methyl-6-nitro-1,4-dihydroquinazolin-2-one
CID 57415942

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-nitro-2H-quinolin-3-ol?
The IUPAC name of 1-methyl-6-nitro-2H-quinolin-3-ol (CID 175932717) is 1-methyl-6-nitro-2H-quinolin-3-ol.
What is the SMILES notation for 1-methyl-6-nitro-2H-quinolin-3-ol?
The canonical SMILES for 1-methyl-6-nitro-2H-quinolin-3-ol is CN1CC(O)=Cc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 1-methyl-6-nitro-2H-quinolin-3-ol?
The InChIKey is CLIMNYSFIBLYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-11-6-9(13)5-7-4-8(12(14)15)2-3-10(7)11/h2-5,13H,6H2,1H3.
What are the key properties of 1-methyl-6-nitro-2H-quinolin-3-ol?
1-methyl-6-nitro-2H-quinolin-3-ol has a molecular weight of 206.20 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-nitro-2H-quinolin-3-ol is sourced from PubChem (CID 175932717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).