2,6-dimethoxy-4-methyl-5-(3-methylphenyl)-8-nitroquinoline

C19H18N2O4 — CID 50993521

IUPAC2,6-dimethoxy-4-methyl-5-(3-methylphenyl)-8-nitroquinoline
SMILESCOc1cc(C)c2c(-c3cccc(C)c3)c(OC)cc([N+](=O)[O-])c2n1
InChIInChI=1S/C19H18N2O4/c1-11-6-5-7-13(8-11)18-15(24-3)10-14(21(22)23)19-17(18)12(2)9-16(20-19)25-4/h5-10H,1-4H3
InChIKeyRXLLTBFWNRWLIG-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.44
Rot. Bonds4

About 2,6-dimethoxy-4-methyl-5-(3-methylphenyl)-8-nitroquinoline

2,6-dimethoxy-4-methyl-5-(3-methylphenyl)-8-nitroquinoline (PubChem CID 50993521) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2,6-dimethoxy-4-methyl-5-(3-methylphenyl)-8-nitroquinoline.

Molecular Properties

Compound Name2,6-dimethoxy-4-methyl-5-(3-methylphenyl)-8-nitroquinoline
PubChem CID50993521
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2,6-dimethoxy-4-methyl-5-(3-methylphenyl)-8-nitroquinoline
SMILESCOc1cc(C)c2c(-c3cccc(C)c3)c(OC)cc([N+](=O)[O-])c2n1
InChIInChI=1S/C19H18N2O4/c1-11-6-5-7-13(8-11)18-15(24-3)10-14(21(22)23)19-17(18)12(2)9-16(20-19)25-4/h5-10H,1-4H3
InChIKeyRXLLTBFWNRWLIG-UHFFFAOYSA-N
XLogP4.44
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
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

6-methoxy-4-methyl-8-nitro-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]quinoline
CID 50993596
2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline
CID 11058632
2,4-dimethoxy-5-methyl-8-nitroquinoline
CID 70164477
4-chloro-2-methoxy-5-methyl-8-nitroquinoline
CID 67077345
3,5-dimethoxy-4-(3-methylphenyl)benzaldehyde
CID 87212227
formaldehyde;bis(1-methoxy-2-methyl-4-(3-methylphenyl)benzene)
CID 175275695
1-(3-methylphenyl)-2-nitrobenzene
CID 12592509
6-chloro-2-(3-methylphenyl)-3-nitropyridine
CID 79073948
2-chloro-6-methoxy-4-methyl-3-nitropyridine
CID 146235051
[2-methyl-4-(3-methylphenyl)phenyl] 2-nitrobenzoate
CID 787330
8-methoxy-3-methyl-5-nitroquinolin-2-amine
CID 63231551
2-(4-methoxy-5-methyl-2-nitrophenyl)-4-methylbenzenesulfonic acid
CID 118112491

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-methyl-5-(3-methylphenyl)-8-nitroquinoline?
The IUPAC name of 2,6-dimethoxy-4-methyl-5-(3-methylphenyl)-8-nitroquinoline (CID 50993521) is 2,6-dimethoxy-4-methyl-5-(3-methylphenyl)-8-nitroquinoline.
What is the SMILES notation for 2,6-dimethoxy-4-methyl-5-(3-methylphenyl)-8-nitroquinoline?
The canonical SMILES for 2,6-dimethoxy-4-methyl-5-(3-methylphenyl)-8-nitroquinoline is COc1cc(C)c2c(-c3cccc(C)c3)c(OC)cc([N+](=O)[O-])c2n1.
What is the InChIKey of 2,6-dimethoxy-4-methyl-5-(3-methylphenyl)-8-nitroquinoline?
The InChIKey is RXLLTBFWNRWLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11-6-5-7-13(8-11)18-15(24-3)10-14(21(22)23)19-17(18)12(2)9-16(20-19)25-4/h5-10H,1-4H3.
What are the key properties of 2,6-dimethoxy-4-methyl-5-(3-methylphenyl)-8-nitroquinoline?
2,6-dimethoxy-4-methyl-5-(3-methylphenyl)-8-nitroquinoline has a molecular weight of 338.36 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-methyl-5-(3-methylphenyl)-8-nitroquinoline is sourced from PubChem (CID 50993521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).