2-chloro-7-methoxy-3-(prop-2-enoxymethyl)quinoline

C14H14ClNO2 — CID 54939655

IUPAC2-chloro-7-methoxy-3-(prop-2-enoxymethyl)quinoline
SMILESC=CCOCc1cc2ccc(OC)cc2nc1Cl
InChIInChI=1S/C14H14ClNO2/c1-3-6-18-9-11-7-10-4-5-12(17-2)8-13(10)16-14(11)15/h3-5,7-8H,1,6,9H2,2H3
InChIKeyQBHMVDKHNZRMKO-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.60
Rot. Bonds5

About 2-chloro-7-methoxy-3-(prop-2-enoxymethyl)quinoline

2-chloro-7-methoxy-3-(prop-2-enoxymethyl)quinoline (PubChem CID 54939655) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 2-chloro-7-methoxy-3-(prop-2-enoxymethyl)quinoline.

Molecular Properties

Compound Name2-chloro-7-methoxy-3-(prop-2-enoxymethyl)quinoline
PubChem CID54939655
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name2-chloro-7-methoxy-3-(prop-2-enoxymethyl)quinoline
SMILESC=CCOCc1cc2ccc(OC)cc2nc1Cl
InChIInChI=1S/C14H14ClNO2/c1-3-6-18-9-11-7-10-4-5-12(17-2)8-13(10)16-14(11)15/h3-5,7-8H,1,6,9H2,2H3
InChIKeyQBHMVDKHNZRMKO-UHFFFAOYSA-N
XLogP3.60
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methoxy-3-(prop-2-enoxymethyl)quinoline?
The IUPAC name of 2-chloro-7-methoxy-3-(prop-2-enoxymethyl)quinoline (CID 54939655) is 2-chloro-7-methoxy-3-(prop-2-enoxymethyl)quinoline.
What is the SMILES notation for 2-chloro-7-methoxy-3-(prop-2-enoxymethyl)quinoline?
The canonical SMILES for 2-chloro-7-methoxy-3-(prop-2-enoxymethyl)quinoline is C=CCOCc1cc2ccc(OC)cc2nc1Cl.
What is the InChIKey of 2-chloro-7-methoxy-3-(prop-2-enoxymethyl)quinoline?
The InChIKey is QBHMVDKHNZRMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-3-6-18-9-11-7-10-4-5-12(17-2)8-13(10)16-14(11)15/h3-5,7-8H,1,6,9H2,2H3.
What are the key properties of 2-chloro-7-methoxy-3-(prop-2-enoxymethyl)quinoline?
2-chloro-7-methoxy-3-(prop-2-enoxymethyl)quinoline has a molecular weight of 263.72 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methoxy-3-(prop-2-enoxymethyl)quinoline is sourced from PubChem (CID 54939655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).