4-chloro-8-methyl-7-nitroquinoline

C10H7ClN2O2 — CID 10242674

IUPAC4-chloro-8-methyl-7-nitroquinoline
SMILESCc1c([N+](=O)[O-])ccc2c(Cl)ccnc12
InChIInChI=1S/C10H7ClN2O2/c1-6-9(13(14)15)3-2-7-8(11)4-5-12-10(6)7/h2-5H,1H3
InChIKeyHPSARDCGQFCOPM-UHFFFAOYSA-N
MW222.63 g/mol
LogP3.10
Rot. Bonds1

About 4-chloro-8-methyl-7-nitroquinoline

4-chloro-8-methyl-7-nitroquinoline (PubChem CID 10242674) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 4-chloro-8-methyl-7-nitroquinoline.

Molecular Properties

Compound Name4-chloro-8-methyl-7-nitroquinoline
PubChem CID10242674
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name4-chloro-8-methyl-7-nitroquinoline
SMILESCc1c([N+](=O)[O-])ccc2c(Cl)ccnc12
InChIInChI=1S/C10H7ClN2O2/c1-6-9(13(14)15)3-2-7-8(11)4-5-12-10(6)7/h2-5H,1H3
InChIKeyHPSARDCGQFCOPM-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-6-methyl-8-nitroquinoline
CID 19592802
4-chloro-5,8-dimethyl-6-nitroquinoline
CID 10537819
4-chloro-7-methoxy-8-methylquinoline
CID 21101954
4-chloro-5-methoxy-8-nitroquinoline
CID 19592414
2,4,8-trimethyl-7-nitroquinoline
CID 71342477
3-chloro-2-methyl-4-nitropyridine
CID 21364039
3-methyl-4-nitropyridin-2-amine
CID 19758038
4-chloro-3-methoxy-2-nitropyridine
CID 118816887
4-chloro-8-methyl-3-nitro-1,7-naphthyridine
CID 103416471
1-chloro-2-methyl-3-nitrobenzene
CID 6740
2-chloro-1,4-dimethyl-5-nitrobenzimidazole
CID 168827001
7-chloro-8-methyl-N-(2-methyl-4-nitrophenyl)quinolin-4-amine
CID 43860082

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-methyl-7-nitroquinoline?
The IUPAC name of 4-chloro-8-methyl-7-nitroquinoline (CID 10242674) is 4-chloro-8-methyl-7-nitroquinoline.
What is the SMILES notation for 4-chloro-8-methyl-7-nitroquinoline?
The canonical SMILES for 4-chloro-8-methyl-7-nitroquinoline is Cc1c([N+](=O)[O-])ccc2c(Cl)ccnc12.
What is the InChIKey of 4-chloro-8-methyl-7-nitroquinoline?
The InChIKey is HPSARDCGQFCOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c1-6-9(13(14)15)3-2-7-8(11)4-5-12-10(6)7/h2-5H,1H3.
What are the key properties of 4-chloro-8-methyl-7-nitroquinoline?
4-chloro-8-methyl-7-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-8-methyl-7-nitroquinoline is sourced from PubChem (CID 10242674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).