2,4-dimethyl-8-(2-nitrophenyl)quinoline

C17H14N2O2 — CID 10891176

IUPAC2,4-dimethyl-8-(2-nitrophenyl)quinoline
SMILESCc1cc(C)c2cccc(-c3ccccc3[N+](=O)[O-])c2n1
InChIInChI=1S/C17H14N2O2/c1-11-10-12(2)18-17-13(11)7-5-8-15(17)14-6-3-4-9-16(14)19(20)21/h3-10H,1-2H3
InChIKeyJKFALHJEPHKKLF-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.43
Rot. Bonds2

About 2,4-dimethyl-8-(2-nitrophenyl)quinoline

2,4-dimethyl-8-(2-nitrophenyl)quinoline (PubChem CID 10891176) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2,4-dimethyl-8-(2-nitrophenyl)quinoline.

Molecular Properties

Compound Name2,4-dimethyl-8-(2-nitrophenyl)quinoline
PubChem CID10891176
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2,4-dimethyl-8-(2-nitrophenyl)quinoline
SMILESCc1cc(C)c2cccc(-c3ccccc3[N+](=O)[O-])c2n1
InChIInChI=1S/C17H14N2O2/c1-11-10-12(2)18-17-13(11)7-5-8-15(17)14-6-3-4-9-16(14)19(20)21/h3-10H,1-2H3
InChIKeyJKFALHJEPHKKLF-UHFFFAOYSA-N
XLogP4.43
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2,4-dimethyl-8-nitroquinoline
CID 608736
2,4,8-trimethyl-7-nitroquinoline
CID 71342477
2,4-dimethyl-5-(2-nitrophenyl)pyridine
CID 121389109
2,4-dimethyl-8,9-dinitrobenzo[h]quinoline
CID 21159480
1-methyl-4-(2-nitrophenyl)naphthalene
CID 66585246
N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine
CID 62190534
1-bromo-5-(2-nitrophenyl)naphthalene
CID 118332360
3-methyl-4-(2-nitrophenyl)pyridine
CID 603571
1-(2-methyl-8-nitroquinolin-4-yl)azetidine-3-carboxylic acid
CID 122064463
1-(3-methylphenyl)-2-nitrobenzene
CID 12592509
4-(2-nitrophenyl)benzo[c]phenanthrene
CID 154597914
2-(2-methylquinolin-4-yl)-4-nitroisoindole-1,3-dione
CID 4584182

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-8-(2-nitrophenyl)quinoline?
The IUPAC name of 2,4-dimethyl-8-(2-nitrophenyl)quinoline (CID 10891176) is 2,4-dimethyl-8-(2-nitrophenyl)quinoline.
What is the SMILES notation for 2,4-dimethyl-8-(2-nitrophenyl)quinoline?
The canonical SMILES for 2,4-dimethyl-8-(2-nitrophenyl)quinoline is Cc1cc(C)c2cccc(-c3ccccc3[N+](=O)[O-])c2n1.
What is the InChIKey of 2,4-dimethyl-8-(2-nitrophenyl)quinoline?
The InChIKey is JKFALHJEPHKKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11-10-12(2)18-17-13(11)7-5-8-15(17)14-6-3-4-9-16(14)19(20)21/h3-10H,1-2H3.
What are the key properties of 2,4-dimethyl-8-(2-nitrophenyl)quinoline?
2,4-dimethyl-8-(2-nitrophenyl)quinoline has a molecular weight of 278.31 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-8-(2-nitrophenyl)quinoline is sourced from PubChem (CID 10891176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).