3-ethyl-8-nitroquinoline

C11H10N2O2 — CID 119082070

IUPAC3-ethyl-8-nitroquinoline
SMILESCCc1cnc2c([N+](=O)[O-])cccc2c1
InChIInChI=1S/C11H10N2O2/c1-2-8-6-9-4-3-5-10(13(14)15)11(9)12-7-8/h3-7H,2H2,1H3
InChIKeyRDSQLSCYBZYWAW-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.71
Rot. Bonds2

About 3-ethyl-8-nitroquinoline

3-ethyl-8-nitroquinoline (PubChem CID 119082070) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-ethyl-8-nitroquinoline.

Molecular Properties

Compound Name3-ethyl-8-nitroquinoline
PubChem CID119082070
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name3-ethyl-8-nitroquinoline
SMILESCCc1cnc2c([N+](=O)[O-])cccc2c1
InChIInChI=1S/C11H10N2O2/c1-2-8-6-9-4-3-5-10(13(14)15)11(9)12-7-8/h3-7H,2H2,1H3
InChIKeyRDSQLSCYBZYWAW-UHFFFAOYSA-N
XLogP2.71
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.71
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

2-chloro-3-methyl-8-nitroquinoline
CID 86241531
ethyl 2-chloro-8-nitroquinoline-3-carboxylate
CID 86241543
3-butyl-8-nitroquinolin-2-amine
CID 67057977
8-chloro-3-(methoxymethyl)-5-nitroquinoline;8-chloro-3-(methoxymethyl)quinoline
CID 19957915
2-(2-methyl-8-nitroquinolin-3-yl)acetic acid
CID 164563339
(8-methoxy-7-nitroquinolin-3-yl)methanol
CID 175831814
3-(3-chlorophenyl)sulfonyl-8-nitroquinoline
CID 67313867
2-chloro-4-(3-ethylphenoxy)-5-nitropyrimidine
CID 114044199
6,8-dinitroquinoline
CID 11106850
N-ethyl-4-nitro-1,3-benzoxazol-2-amine
CID 79881998
5-nitroisoquinolin-3-amine
CID 174817453
2,4-dimethyl-8-nitroquinoline
CID 608736

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-nitroquinoline?
The IUPAC name of 3-ethyl-8-nitroquinoline (CID 119082070) is 3-ethyl-8-nitroquinoline.
What is the SMILES notation for 3-ethyl-8-nitroquinoline?
The canonical SMILES for 3-ethyl-8-nitroquinoline is CCc1cnc2c([N+](=O)[O-])cccc2c1.
What is the InChIKey of 3-ethyl-8-nitroquinoline?
The InChIKey is RDSQLSCYBZYWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-2-8-6-9-4-3-5-10(13(14)15)11(9)12-7-8/h3-7H,2H2,1H3.
What are the key properties of 3-ethyl-8-nitroquinoline?
3-ethyl-8-nitroquinoline has a molecular weight of 202.21 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-nitroquinoline is sourced from PubChem (CID 119082070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).