4-butoxy-6-chloro-3-methyl-2-(nitrosomethyl)quinoline

C15H17ClN2O2 — CID 89063746

IUPAC4-butoxy-6-chloro-3-methyl-2-(nitrosomethyl)quinoline
SMILESCCCCOc1c(C)c(CN=O)nc2ccc(Cl)cc12
InChIInChI=1S/C15H17ClN2O2/c1-3-4-7-20-15-10(2)14(9-17-19)18-13-6-5-11(16)8-12(13)15/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyMNQWQIYZFMRWHL-UHFFFAOYSA-N
MW292.77 g/mol
LogP4.64
Rot. Bonds6

About 4-butoxy-6-chloro-3-methyl-2-(nitrosomethyl)quinoline

4-butoxy-6-chloro-3-methyl-2-(nitrosomethyl)quinoline (PubChem CID 89063746) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-butoxy-6-chloro-3-methyl-2-(nitrosomethyl)quinoline.

Molecular Properties

Compound Name4-butoxy-6-chloro-3-methyl-2-(nitrosomethyl)quinoline
PubChem CID89063746
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-butoxy-6-chloro-3-methyl-2-(nitrosomethyl)quinoline
SMILESCCCCOc1c(C)c(CN=O)nc2ccc(Cl)cc12
InChIInChI=1S/C15H17ClN2O2/c1-3-4-7-20-15-10(2)14(9-17-19)18-13-6-5-11(16)8-12(13)15/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyMNQWQIYZFMRWHL-UHFFFAOYSA-N
XLogP4.64
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-6-chloro-3-methyl-2-(nitrosomethyl)quinoline?
The IUPAC name of 4-butoxy-6-chloro-3-methyl-2-(nitrosomethyl)quinoline (CID 89063746) is 4-butoxy-6-chloro-3-methyl-2-(nitrosomethyl)quinoline.
What is the SMILES notation for 4-butoxy-6-chloro-3-methyl-2-(nitrosomethyl)quinoline?
The canonical SMILES for 4-butoxy-6-chloro-3-methyl-2-(nitrosomethyl)quinoline is CCCCOc1c(C)c(CN=O)nc2ccc(Cl)cc12.
What is the InChIKey of 4-butoxy-6-chloro-3-methyl-2-(nitrosomethyl)quinoline?
The InChIKey is MNQWQIYZFMRWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-4-7-20-15-10(2)14(9-17-19)18-13-6-5-11(16)8-12(13)15/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of 4-butoxy-6-chloro-3-methyl-2-(nitrosomethyl)quinoline?
4-butoxy-6-chloro-3-methyl-2-(nitrosomethyl)quinoline has a molecular weight of 292.77 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-6-chloro-3-methyl-2-(nitrosomethyl)quinoline is sourced from PubChem (CID 89063746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).