2,7-dimethyl-4-(5-nitrofuran-2-yl)quinoline

C15H12N2O3 — CID 23341191

IUPAC2,7-dimethyl-4-(5-nitrofuran-2-yl)quinoline
SMILESCc1ccc2c(-c3ccc([N+](=O)[O-])o3)cc(C)nc2c1
InChIInChI=1S/C15H12N2O3/c1-9-3-4-11-12(8-10(2)16-13(11)7-9)14-5-6-15(20-14)17(18)19/h3-8H,1-2H3
InChIKeyCJGVIGMPZXYWQU-UHFFFAOYSA-N
MW268.27 g/mol
LogP4.02
Rot. Bonds2

About 2,7-dimethyl-4-(5-nitrofuran-2-yl)quinoline

2,7-dimethyl-4-(5-nitrofuran-2-yl)quinoline (PubChem CID 23341191) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2,7-dimethyl-4-(5-nitrofuran-2-yl)quinoline.

Molecular Properties

Compound Name2,7-dimethyl-4-(5-nitrofuran-2-yl)quinoline
PubChem CID23341191
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2,7-dimethyl-4-(5-nitrofuran-2-yl)quinoline
SMILESCc1ccc2c(-c3ccc([N+](=O)[O-])o3)cc(C)nc2c1
InChIInChI=1S/C15H12N2O3/c1-9-3-4-11-12(8-10(2)16-13(11)7-9)14-5-6-15(20-14)17(18)19/h3-8H,1-2H3
InChIKeyCJGVIGMPZXYWQU-UHFFFAOYSA-N
XLogP4.02
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 54.02
H-Bond Donors ≤ 50
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

Quinoline, 2-(2-(5-nitro-2-furyl)vinyl)-
CID 5735444
2-(2-(5-Nitro-2-furyl)vinyl)-8-quinolinol
CID 5376864
2-(4-Methyl-3-nitrophenyl)-2-oxoethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 3808658
6-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline
CID 118723550
Nifuroquine
CID 71946
4-Nitrophenyl 3-methyl-2-phenylquinoline-4-carboxylate
CID 1926076
N'-({5-nitro-2-furyl}methylene)-2-(4-propylphenyl)-4-quinolinecarbohydrazide
CID 6874971
N-[(5-nitro-2-furyl)methyleneamino]-2-(4-phenylphenyl)cinchoninamide
CID 6908412
1-[4-[[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]amino]phenyl]ethanone
CID 46229441
(NE)-N-[1-[4-[[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]amino]phenyl]ethylidene]hydroxylamine
CID 46229442
N-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-amine
CID 46229443
6-methoxy-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline
CID 118723551

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4-(5-nitrofuran-2-yl)quinoline?
The IUPAC name of 2,7-dimethyl-4-(5-nitrofuran-2-yl)quinoline (CID 23341191) is 2,7-dimethyl-4-(5-nitrofuran-2-yl)quinoline.
What is the SMILES notation for 2,7-dimethyl-4-(5-nitrofuran-2-yl)quinoline?
The canonical SMILES for 2,7-dimethyl-4-(5-nitrofuran-2-yl)quinoline is Cc1ccc2c(-c3ccc([N+](=O)[O-])o3)cc(C)nc2c1.
What is the InChIKey of 2,7-dimethyl-4-(5-nitrofuran-2-yl)quinoline?
The InChIKey is CJGVIGMPZXYWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-9-3-4-11-12(8-10(2)16-13(11)7-9)14-5-6-15(20-14)17(18)19/h3-8H,1-2H3.
What are the key properties of 2,7-dimethyl-4-(5-nitrofuran-2-yl)quinoline?
2,7-dimethyl-4-(5-nitrofuran-2-yl)quinoline has a molecular weight of 268.27 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4-(5-nitrofuran-2-yl)quinoline is sourced from PubChem (CID 23341191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).