7-chloro-6-methoxy-4-methyl-8-nitroquinoline

C11H9ClN2O3 — CID 619863

IUPAC7-chloro-6-methoxy-4-methyl-8-nitroquinoline
SMILESCOc1cc2c(C)ccnc2c([N+](=O)[O-])c1Cl
InChIInChI=1S/C11H9ClN2O3/c1-6-3-4-13-10-7(6)5-8(17-2)9(12)11(10)14(15)16/h3-5H,1-2H3
InChIKeyFAPZNZKMVXCIBO-UHFFFAOYSA-N
MW252.66 g/mol
LogP3.11
Rot. Bonds2

About 7-chloro-6-methoxy-4-methyl-8-nitroquinoline

7-chloro-6-methoxy-4-methyl-8-nitroquinoline (PubChem CID 619863) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is 7-chloro-6-methoxy-4-methyl-8-nitroquinoline.

Molecular Properties

Compound Name7-chloro-6-methoxy-4-methyl-8-nitroquinoline
PubChem CID619863
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Name7-chloro-6-methoxy-4-methyl-8-nitroquinoline
SMILESCOc1cc2c(C)ccnc2c([N+](=O)[O-])c1Cl
InChIInChI=1S/C11H9ClN2O3/c1-6-3-4-13-10-7(6)5-8(17-2)9(12)11(10)14(15)16/h3-5H,1-2H3
InChIKeyFAPZNZKMVXCIBO-UHFFFAOYSA-N
XLogP3.11
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 53.11
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

6-methoxy-4-methyl-8-nitroquinolin-7-amine
CID 593976
1,3-dichloro-4-methoxy-2-nitrobenzene
CID 20513886
4-bromo-8-methoxy-6-methyl-5-nitroquinoline
CID 11738035
6-methoxy-4-methylbenzo[h]quinoline
CID 11009579
8-methoxy-4,6-dimethylquinoline
CID 58053088
6,8-dimethoxy-4-methylbenzo[h]quinoline
CID 11807182
6,7-dimethoxy-8-nitroquinoline
CID 616387
methyl 8-methoxy-4-methylquinoline-6-carboxylate
CID 71521814
4-chloro-5-methoxy-8-nitroquinoline
CID 19592414
3-chloro-4-methoxy-2-nitrobenzaldehyde
CID 77231457
2,4,7-trichloro-6-methoxy-3-nitroquinoline
CID 97181891
2,4-dichloro-5-methoxy-3-nitrobenzamide
CID 175668713

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methoxy-4-methyl-8-nitroquinoline?
The IUPAC name of 7-chloro-6-methoxy-4-methyl-8-nitroquinoline (CID 619863) is 7-chloro-6-methoxy-4-methyl-8-nitroquinoline.
What is the SMILES notation for 7-chloro-6-methoxy-4-methyl-8-nitroquinoline?
The canonical SMILES for 7-chloro-6-methoxy-4-methyl-8-nitroquinoline is COc1cc2c(C)ccnc2c([N+](=O)[O-])c1Cl.
What is the InChIKey of 7-chloro-6-methoxy-4-methyl-8-nitroquinoline?
The InChIKey is FAPZNZKMVXCIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c1-6-3-4-13-10-7(6)5-8(17-2)9(12)11(10)14(15)16/h3-5H,1-2H3.
What are the key properties of 7-chloro-6-methoxy-4-methyl-8-nitroquinoline?
7-chloro-6-methoxy-4-methyl-8-nitroquinoline has a molecular weight of 252.66 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methoxy-4-methyl-8-nitroquinoline is sourced from PubChem (CID 619863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).