(6-methoxyquinolin-4-yl)methyl N-prop-2-enylcarbamate

C15H16N2O3 — CID 165345065

IUPAC(6-methoxyquinolin-4-yl)methyl N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OCc1ccnc2ccc(OC)cc12
InChIInChI=1S/C15H16N2O3/c1-3-7-17-15(18)20-10-11-6-8-16-14-5-4-12(19-2)9-13(11)14/h3-6,8-9H,1,7,10H2,2H3,(H,17,18)
InChIKeyBUZIGIJQMXIIPG-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.66
Rot. Bonds5

About (6-methoxyquinolin-4-yl)methyl N-prop-2-enylcarbamate

(6-methoxyquinolin-4-yl)methyl N-prop-2-enylcarbamate (PubChem CID 165345065) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (6-methoxyquinolin-4-yl)methyl N-prop-2-enylcarbamate.

Molecular Properties

Compound Name(6-methoxyquinolin-4-yl)methyl N-prop-2-enylcarbamate
PubChem CID165345065
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(6-methoxyquinolin-4-yl)methyl N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OCc1ccnc2ccc(OC)cc12
InChIInChI=1S/C15H16N2O3/c1-3-7-17-15(18)20-10-11-6-8-16-14-5-4-12(19-2)9-13(11)14/h3-6,8-9H,1,7,10H2,2H3,(H,17,18)
InChIKeyBUZIGIJQMXIIPG-UHFFFAOYSA-N
XLogP2.66
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (6-methoxyquinolin-4-yl)methyl N-prop-2-enylcarbamate?
The IUPAC name of (6-methoxyquinolin-4-yl)methyl N-prop-2-enylcarbamate (CID 165345065) is (6-methoxyquinolin-4-yl)methyl N-prop-2-enylcarbamate.
What is the SMILES notation for (6-methoxyquinolin-4-yl)methyl N-prop-2-enylcarbamate?
The canonical SMILES for (6-methoxyquinolin-4-yl)methyl N-prop-2-enylcarbamate is C=CCNC(=O)OCc1ccnc2ccc(OC)cc12.
What is the InChIKey of (6-methoxyquinolin-4-yl)methyl N-prop-2-enylcarbamate?
The InChIKey is BUZIGIJQMXIIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-7-17-15(18)20-10-11-6-8-16-14-5-4-12(19-2)9-13(11)14/h3-6,8-9H,1,7,10H2,2H3,(H,17,18).
What are the key properties of (6-methoxyquinolin-4-yl)methyl N-prop-2-enylcarbamate?
(6-methoxyquinolin-4-yl)methyl N-prop-2-enylcarbamate has a molecular weight of 272.30 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxyquinolin-4-yl)methyl N-prop-2-enylcarbamate is sourced from PubChem (CID 165345065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).