4-chloro-5,8-dimethyl-6-nitroquinoline

C11H9ClN2O2 — CID 10537819

IUPAC4-chloro-5,8-dimethyl-6-nitroquinoline
SMILESCc1cc([N+](=O)[O-])c(C)c2c(Cl)ccnc12
InChIInChI=1S/C11H9ClN2O2/c1-6-5-9(14(15)16)7(2)10-8(12)3-4-13-11(6)10/h3-5H,1-2H3
InChIKeyJUVALBQUVQWRKA-UHFFFAOYSA-N
MW236.66 g/mol
LogP3.41
Rot. Bonds1

About 4-chloro-5,8-dimethyl-6-nitroquinoline

4-chloro-5,8-dimethyl-6-nitroquinoline (PubChem CID 10537819) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 4-chloro-5,8-dimethyl-6-nitroquinoline.

Molecular Properties

Compound Name4-chloro-5,8-dimethyl-6-nitroquinoline
PubChem CID10537819
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name4-chloro-5,8-dimethyl-6-nitroquinoline
SMILESCc1cc([N+](=O)[O-])c(C)c2c(Cl)ccnc12
InChIInChI=1S/C11H9ClN2O2/c1-6-5-9(14(15)16)7(2)10-8(12)3-4-13-11(6)10/h3-5H,1-2H3
InChIKeyJUVALBQUVQWRKA-UHFFFAOYSA-N
XLogP3.41
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 53.41
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-6-methyl-8-nitroquinoline
CID 19592802
4-chloro-5-methoxy-8-nitroquinoline
CID 19592414
4-chloro-5-nitroquinoline
CID 12582845
5-bromo-8-methyl-6-nitroquinoline
CID 11207866
3-chloro-2-methyl-4-nitropyridine
CID 21364039
4-chloro-1,2,3-trimethyl-5-nitrobenzene
CID 162041077
3-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]-2,4-dichloropyridine
CID 165114514
4-chloro-8-methyl-3-nitro-1,7-naphthyridine
CID 103416471
8-chloro-2,3,4-trimethyl-5-nitroquinoline
CID 70613666
3-methyl-4-nitropyridin-2-amine
CID 19758038
4-(4-chloro-2-methyl-5-nitrophenoxy)-2-cyclopropylpyrimidine
CID 133309272

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,8-dimethyl-6-nitroquinoline?
The IUPAC name of 4-chloro-5,8-dimethyl-6-nitroquinoline (CID 10537819) is 4-chloro-5,8-dimethyl-6-nitroquinoline.
What is the SMILES notation for 4-chloro-5,8-dimethyl-6-nitroquinoline?
The canonical SMILES for 4-chloro-5,8-dimethyl-6-nitroquinoline is Cc1cc([N+](=O)[O-])c(C)c2c(Cl)ccnc12.
What is the InChIKey of 4-chloro-5,8-dimethyl-6-nitroquinoline?
The InChIKey is JUVALBQUVQWRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-6-5-9(14(15)16)7(2)10-8(12)3-4-13-11(6)10/h3-5H,1-2H3.
What are the key properties of 4-chloro-5,8-dimethyl-6-nitroquinoline?
4-chloro-5,8-dimethyl-6-nitroquinoline has a molecular weight of 236.66 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,8-dimethyl-6-nitroquinoline is sourced from PubChem (CID 10537819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).