8-chloro-2,3,4-trimethyl-5-nitroquinoline

C12H11ClN2O2 — CID 70613666

IUPAC8-chloro-2,3,4-trimethyl-5-nitroquinoline
SMILESCc1nc2c(Cl)ccc([N+](=O)[O-])c2c(C)c1C
InChIInChI=1S/C12H11ClN2O2/c1-6-7(2)11-10(15(16)17)5-4-9(13)12(11)14-8(6)3/h4-5H,1-3H3
InChIKeyYAJDICFFDBAVKS-UHFFFAOYSA-N
MW250.69 g/mol
LogP3.72
Rot. Bonds1

About 8-chloro-2,3,4-trimethyl-5-nitroquinoline

8-chloro-2,3,4-trimethyl-5-nitroquinoline (PubChem CID 70613666) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 8-chloro-2,3,4-trimethyl-5-nitroquinoline.

Molecular Properties

Compound Name8-chloro-2,3,4-trimethyl-5-nitroquinoline
PubChem CID70613666
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name8-chloro-2,3,4-trimethyl-5-nitroquinoline
SMILESCc1nc2c(Cl)ccc([N+](=O)[O-])c2c(C)c1C
InChIInChI=1S/C12H11ClN2O2/c1-6-7(2)11-10(15(16)17)5-4-9(13)12(11)14-8(6)3/h4-5H,1-3H3
InChIKeyYAJDICFFDBAVKS-UHFFFAOYSA-N
XLogP3.72
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 53.72
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-7-nitro-2,1,3-benzoxadiazole
CID 159389274
6-chloro-2-methyl-3-nitrobenzaldehyde
CID 130848770
1-chloro-2-methyl-3-methylsulfanyl-4-nitrobenzene
CID 91881182
3-chloro-2-methyl-6-nitrobenzaldehyde
CID 130966517
4-chloro-8-methyl-7-nitroquinoline
CID 10242674
3-chloro-2-methyl-6-nitrobenzamide
CID 131072971
5-chloro-4-methyl-8-nitronaphthalene-1-carbonitrile
CID 10014828
2-chloro-1,4-dimethyl-5-nitrobenzimidazole
CID 168827001
1-chloro-2-methyl-3-nitrobenzene
CID 6740
4-chloro-2-methoxy-5-methyl-8-nitroquinoline
CID 67077345
4-chloro-5,8-dimethyl-6-nitroquinoline
CID 10537819
(3-acetyl-8-chloro-2-methylsulfanyl-5-nitroquinolin-4-yl) methanesulfonate
CID 24971045

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,3,4-trimethyl-5-nitroquinoline?
The IUPAC name of 8-chloro-2,3,4-trimethyl-5-nitroquinoline (CID 70613666) is 8-chloro-2,3,4-trimethyl-5-nitroquinoline.
What is the SMILES notation for 8-chloro-2,3,4-trimethyl-5-nitroquinoline?
The canonical SMILES for 8-chloro-2,3,4-trimethyl-5-nitroquinoline is Cc1nc2c(Cl)ccc([N+](=O)[O-])c2c(C)c1C.
What is the InChIKey of 8-chloro-2,3,4-trimethyl-5-nitroquinoline?
The InChIKey is YAJDICFFDBAVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-6-7(2)11-10(15(16)17)5-4-9(13)12(11)14-8(6)3/h4-5H,1-3H3.
What are the key properties of 8-chloro-2,3,4-trimethyl-5-nitroquinoline?
8-chloro-2,3,4-trimethyl-5-nitroquinoline has a molecular weight of 250.69 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2,3,4-trimethyl-5-nitroquinoline is sourced from PubChem (CID 70613666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).