4-chloro-6-methyl-8-nitroquinoline

C10H7ClN2O2 — CID 19592802

IUPAC4-chloro-6-methyl-8-nitroquinoline
SMILESCc1cc([N+](=O)[O-])c2nccc(Cl)c2c1
InChIInChI=1S/C10H7ClN2O2/c1-6-4-7-8(11)2-3-12-10(7)9(5-6)13(14)15/h2-5H,1H3
InChIKeyQINJIIFRYPPDJO-UHFFFAOYSA-N
MW222.63 g/mol
LogP3.10
Rot. Bonds1

About 4-chloro-6-methyl-8-nitroquinoline

4-chloro-6-methyl-8-nitroquinoline (PubChem CID 19592802) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 4-chloro-6-methyl-8-nitroquinoline.

Molecular Properties

Compound Name4-chloro-6-methyl-8-nitroquinoline
PubChem CID19592802
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name4-chloro-6-methyl-8-nitroquinoline
SMILESCc1cc([N+](=O)[O-])c2nccc(Cl)c2c1
InChIInChI=1S/C10H7ClN2O2/c1-6-4-7-8(11)2-3-12-10(7)9(5-6)13(14)15/h2-5H,1H3
InChIKeyQINJIIFRYPPDJO-UHFFFAOYSA-N
XLogP3.10
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 53.10
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

4-chloro-8-methyl-7-nitroquinoline
CID 10242674
4-chloro-5,8-dimethyl-6-nitroquinoline
CID 10537819
7-methyl-5-nitroquinoline
CID 137347294
2-chloro-5-methyl-3-nitropyridine
CID 139082293
3-chloro-2-methyl-4-nitropyridine
CID 21364039
4-chloro-5-methoxy-8-nitroquinoline
CID 19592414
4-chloro-3-methoxy-2-nitropyridine
CID 118816887
4-chloro-8-methyl-3-nitro-1,7-naphthyridine
CID 103416471
5,6-dichloro-2-methyl-8-nitroquinoline
CID 138490128
6-methyl-4-nitro-1H-benzimidazole
CID 46707907
2,6-dichloro-N-(4-chloro-6-methylquinolin-8-yl)benzamide
CID 19592532
4-chloro-7-nitro-1,6-naphthyridine
CID 133060789

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-8-nitroquinoline?
The IUPAC name of 4-chloro-6-methyl-8-nitroquinoline (CID 19592802) is 4-chloro-6-methyl-8-nitroquinoline.
What is the SMILES notation for 4-chloro-6-methyl-8-nitroquinoline?
The canonical SMILES for 4-chloro-6-methyl-8-nitroquinoline is Cc1cc([N+](=O)[O-])c2nccc(Cl)c2c1.
What is the InChIKey of 4-chloro-6-methyl-8-nitroquinoline?
The InChIKey is QINJIIFRYPPDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c1-6-4-7-8(11)2-3-12-10(7)9(5-6)13(14)15/h2-5H,1H3.
What are the key properties of 4-chloro-6-methyl-8-nitroquinoline?
4-chloro-6-methyl-8-nitroquinoline has a molecular weight of 222.63 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-8-nitroquinoline is sourced from PubChem (CID 19592802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).