2,4-diethyl-6-nitro-3-propylquinoline

C16H20N2O2 — CID 125452460

IUPAC2,4-diethyl-6-nitro-3-propylquinoline
SMILESCCCc1c(CC)nc2ccc([N+](=O)[O-])cc2c1CC
InChIInChI=1S/C16H20N2O2/c1-4-7-13-12(5-2)14-10-11(18(19)20)8-9-16(14)17-15(13)6-3/h8-10H,4-7H2,1-3H3
InChIKeyLSGTXDWPAWLMDQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.22
Rot. Bonds5

About 2,4-diethyl-6-nitro-3-propylquinoline

2,4-diethyl-6-nitro-3-propylquinoline (PubChem CID 125452460) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2,4-diethyl-6-nitro-3-propylquinoline.

Molecular Properties

Compound Name2,4-diethyl-6-nitro-3-propylquinoline
PubChem CID125452460
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2,4-diethyl-6-nitro-3-propylquinoline
SMILESCCCc1c(CC)nc2ccc([N+](=O)[O-])cc2c1CC
InChIInChI=1S/C16H20N2O2/c1-4-7-13-12(5-2)14-10-11(18(19)20)8-9-16(14)17-15(13)6-3/h8-10H,4-7H2,1-3H3
InChIKeyLSGTXDWPAWLMDQ-UHFFFAOYSA-N
XLogP4.22
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.22
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

3,4-diethyl-6-nitroisoquinoline
CID 71723952
3-ethyl-2-methyl-6-nitroquinoxaline
CID 142123651
6-nitro-3-phenyl-2-propylquinazolin-4-one
CID 154639059
2-(chloromethyl)-4-methyl-6-nitroquinoline
CID 139719779
2-chloro-6-nitro-4-propoxyquinoline
CID 155587986
4-chloro-7-nitro-2-propylquinazoline
CID 106584339
7-nitro-2-propyl-3H-quinazolin-4-one
CID 136743498
2-methyl-6-nitroquinolin-4-amine
CID 11735841
ethyl 2-ethyl-6-nitroquinazoline-4-carboxylate
CID 139673192
2,4-dichloro-6-nitroquinazoline
CID 12703366
2-butyl-6-nitroquinazoline
CID 101015505
2-methyl-6-nitroquinoline-4-carboxylic acid
CID 16637250

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-6-nitro-3-propylquinoline?
The IUPAC name of 2,4-diethyl-6-nitro-3-propylquinoline (CID 125452460) is 2,4-diethyl-6-nitro-3-propylquinoline.
What is the SMILES notation for 2,4-diethyl-6-nitro-3-propylquinoline?
The canonical SMILES for 2,4-diethyl-6-nitro-3-propylquinoline is CCCc1c(CC)nc2ccc([N+](=O)[O-])cc2c1CC.
What is the InChIKey of 2,4-diethyl-6-nitro-3-propylquinoline?
The InChIKey is LSGTXDWPAWLMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-7-13-12(5-2)14-10-11(18(19)20)8-9-16(14)17-15(13)6-3/h8-10H,4-7H2,1-3H3.
What are the key properties of 2,4-diethyl-6-nitro-3-propylquinoline?
2,4-diethyl-6-nitro-3-propylquinoline has a molecular weight of 272.35 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-6-nitro-3-propylquinoline is sourced from PubChem (CID 125452460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).