8-methyl-2-(2-methyl-4-nitrophenyl)quinoline

C17H14N2O2 — CID 624082

IUPAC8-methyl-2-(2-methyl-4-nitrophenyl)quinoline
SMILESCc1cc([N+](=O)[O-])ccc1-c1ccc2cccc(C)c2n1
InChIInChI=1S/C17H14N2O2/c1-11-4-3-5-13-6-9-16(18-17(11)13)15-8-7-14(19(20)21)10-12(15)2/h3-10H,1-2H3
InChIKeyWUOJLZMNXSCRSN-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.43
Rot. Bonds2

About 8-methyl-2-(2-methyl-4-nitrophenyl)quinoline

8-methyl-2-(2-methyl-4-nitrophenyl)quinoline (PubChem CID 624082) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 8-methyl-2-(2-methyl-4-nitrophenyl)quinoline.

Molecular Properties

Compound Name8-methyl-2-(2-methyl-4-nitrophenyl)quinoline
PubChem CID624082
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name8-methyl-2-(2-methyl-4-nitrophenyl)quinoline
SMILESCc1cc([N+](=O)[O-])ccc1-c1ccc2cccc(C)c2n1
InChIInChI=1S/C17H14N2O2/c1-11-4-3-5-13-6-9-16(18-17(11)13)15-8-7-14(19(20)21)10-12(15)2/h3-10H,1-2H3
InChIKeyWUOJLZMNXSCRSN-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

1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene
CID 23565474
2-(3-methylnaphthalen-2-yl)-6-(2-methyl-5-nitrophenyl)pyridine
CID 58234804
1,2-dimethyl-4-nitrobenzene;ethane
CID 90784792
4-methyl-3-(2-methyl-4-nitrophenyl)-1,2,4-triazole
CID 115395412
2-(2-methyl-4-nitrophenyl)sulfanylnaphthalene
CID 143108301
2-methyl-N-(2-methylquinolin-8-yl)-5-nitrobenzenesulfonamide
CID 16759952
1-methyl-2,4-dinitrobenzene;1,2-xylene
CID 88735463
1-(4-chlorophenyl)-2-methyl-4-nitrobenzene
CID 57438279
2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine
CID 168929606
1-(2-methyl-4-nitrophenoxy)naphthalene
CID 13245951
4-methyl-3-(2-methyl-4-nitrophenyl)benzonitrile
CID 70273781
2-(4-iodophenyl)-8-methylquinoline
CID 125497022

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(2-methyl-4-nitrophenyl)quinoline?
The IUPAC name of 8-methyl-2-(2-methyl-4-nitrophenyl)quinoline (CID 624082) is 8-methyl-2-(2-methyl-4-nitrophenyl)quinoline.
What is the SMILES notation for 8-methyl-2-(2-methyl-4-nitrophenyl)quinoline?
The canonical SMILES for 8-methyl-2-(2-methyl-4-nitrophenyl)quinoline is Cc1cc([N+](=O)[O-])ccc1-c1ccc2cccc(C)c2n1.
What is the InChIKey of 8-methyl-2-(2-methyl-4-nitrophenyl)quinoline?
The InChIKey is WUOJLZMNXSCRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11-4-3-5-13-6-9-16(18-17(11)13)15-8-7-14(19(20)21)10-12(15)2/h3-10H,1-2H3.
What are the key properties of 8-methyl-2-(2-methyl-4-nitrophenyl)quinoline?
8-methyl-2-(2-methyl-4-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 8-methyl-2-(2-methyl-4-nitrophenyl)quinoline is sourced from PubChem (CID 624082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).