5-methoxy-8-methyl-N-prop-2-enylquinolin-4-amine

C14H16N2O — CID 10988003

IUPAC5-methoxy-8-methyl-N-prop-2-enylquinolin-4-amine
SMILESC=CCNc1ccnc2c(C)ccc(OC)c12
InChIInChI=1S/C14H16N2O/c1-4-8-15-11-7-9-16-14-10(2)5-6-12(17-3)13(11)14/h4-7,9H,1,8H2,2-3H3,(H,15,16)
InChIKeyYLCPBPAXYKTAMN-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.15
Rot. Bonds4

About 5-methoxy-8-methyl-N-prop-2-enylquinolin-4-amine

5-methoxy-8-methyl-N-prop-2-enylquinolin-4-amine (PubChem CID 10988003) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 5-methoxy-8-methyl-N-prop-2-enylquinolin-4-amine.

Molecular Properties

Compound Name5-methoxy-8-methyl-N-prop-2-enylquinolin-4-amine
PubChem CID10988003
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name5-methoxy-8-methyl-N-prop-2-enylquinolin-4-amine
SMILESC=CCNc1ccnc2c(C)ccc(OC)c12
InChIInChI=1S/C14H16N2O/c1-4-8-15-11-7-9-16-14-10(2)5-6-12(17-3)13(11)14/h4-7,9H,1,8H2,2-3H3,(H,15,16)
InChIKeyYLCPBPAXYKTAMN-UHFFFAOYSA-N
XLogP3.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-8-methyl-N-prop-2-enylquinolin-4-amine?
The IUPAC name of 5-methoxy-8-methyl-N-prop-2-enylquinolin-4-amine (CID 10988003) is 5-methoxy-8-methyl-N-prop-2-enylquinolin-4-amine.
What is the SMILES notation for 5-methoxy-8-methyl-N-prop-2-enylquinolin-4-amine?
The canonical SMILES for 5-methoxy-8-methyl-N-prop-2-enylquinolin-4-amine is C=CCNc1ccnc2c(C)ccc(OC)c12.
What is the InChIKey of 5-methoxy-8-methyl-N-prop-2-enylquinolin-4-amine?
The InChIKey is YLCPBPAXYKTAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-4-8-15-11-7-9-16-14-10(2)5-6-12(17-3)13(11)14/h4-7,9H,1,8H2,2-3H3,(H,15,16).
What are the key properties of 5-methoxy-8-methyl-N-prop-2-enylquinolin-4-amine?
5-methoxy-8-methyl-N-prop-2-enylquinolin-4-amine has a molecular weight of 228.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-8-methyl-N-prop-2-enylquinolin-4-amine is sourced from PubChem (CID 10988003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).