2-methyl-8-nitro-7-phenylquinolin-5-ol

C16H12N2O3 — CID 164678497

IUPAC2-methyl-8-nitro-7-phenylquinolin-5-ol
SMILESCc1ccc2c(O)cc(-c3ccccc3)c([N+](=O)[O-])c2n1
InChIInChI=1S/C16H12N2O3/c1-10-7-8-12-14(19)9-13(11-5-3-2-4-6-11)16(18(20)21)15(12)17-10/h2-9,19H,1H3
InChIKeyAHLVMZTUOXGDBJ-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.82
Rot. Bonds2

About 2-methyl-8-nitro-7-phenylquinolin-5-ol

2-methyl-8-nitro-7-phenylquinolin-5-ol (PubChem CID 164678497) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-methyl-8-nitro-7-phenylquinolin-5-ol.

Molecular Properties

Compound Name2-methyl-8-nitro-7-phenylquinolin-5-ol
PubChem CID164678497
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-methyl-8-nitro-7-phenylquinolin-5-ol
SMILESCc1ccc2c(O)cc(-c3ccccc3)c([N+](=O)[O-])c2n1
InChIInChI=1S/C16H12N2O3/c1-10-7-8-12-14(19)9-13(11-5-3-2-4-6-11)16(18(20)21)15(12)17-10/h2-9,19H,1H3
InChIKeyAHLVMZTUOXGDBJ-UHFFFAOYSA-N
XLogP3.82
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-methyl-4-nitro-5-phenylphenol
CID 45098061
5-chloro-2-methyl-7-phenylquinolin-8-ol
CID 122229840
2-methylquinolin-8-ol;2-phenylphenol;propane
CID 143547724
2-methyl-4-phenylquinolin-8-ol;phenol
CID 174796538
(2-methyl-5-nitroquinolin-6-yl)methanol
CID 58506618
3-(1-ethoxyethenyl)-7-nitro-6-phenyl-2H-indazole
CID 140861900
3-methyl-4-nitro-5-phenylpyridine
CID 133095647
5-nitro-6-phenylnaphthalene-2-carboxylic acid
CID 59303413
5,6-dichloro-2-methyl-8-nitroquinoline
CID 138490128
bis(2,4-dimethylquinolin-8-ol);2-hydroxy-6-phenylbenzaldehyde
CID 87699606
ethyl 2-amino-3-nitro-4,6-diphenylbenzoate
CID 53486536
2-methyl-5-nitro-N-phenylquinolin-6-amine
CID 10107642

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-nitro-7-phenylquinolin-5-ol?
The IUPAC name of 2-methyl-8-nitro-7-phenylquinolin-5-ol (CID 164678497) is 2-methyl-8-nitro-7-phenylquinolin-5-ol.
What is the SMILES notation for 2-methyl-8-nitro-7-phenylquinolin-5-ol?
The canonical SMILES for 2-methyl-8-nitro-7-phenylquinolin-5-ol is Cc1ccc2c(O)cc(-c3ccccc3)c([N+](=O)[O-])c2n1.
What is the InChIKey of 2-methyl-8-nitro-7-phenylquinolin-5-ol?
The InChIKey is AHLVMZTUOXGDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-10-7-8-12-14(19)9-13(11-5-3-2-4-6-11)16(18(20)21)15(12)17-10/h2-9,19H,1H3.
What are the key properties of 2-methyl-8-nitro-7-phenylquinolin-5-ol?
2-methyl-8-nitro-7-phenylquinolin-5-ol has a molecular weight of 280.28 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-nitro-7-phenylquinolin-5-ol is sourced from PubChem (CID 164678497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).