4-chloro-7-prop-2-enoxyquinoline

C12H10ClNO — CID 78323997

IUPAC4-chloro-7-prop-2-enoxyquinoline
SMILESC=CCOc1ccc2c(Cl)ccnc2c1
InChIInChI=1S/C12H10ClNO/c1-2-7-15-9-3-4-10-11(13)5-6-14-12(10)8-9/h2-6,8H,1,7H2
InChIKeyAJTIDMFPBCXUHN-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.45
Rot. Bonds3

About 4-chloro-7-prop-2-enoxyquinoline

4-chloro-7-prop-2-enoxyquinoline (PubChem CID 78323997) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 4-chloro-7-prop-2-enoxyquinoline.

Molecular Properties

Compound Name4-chloro-7-prop-2-enoxyquinoline
PubChem CID78323997
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name4-chloro-7-prop-2-enoxyquinoline
SMILESC=CCOc1ccc2c(Cl)ccnc2c1
InChIInChI=1S/C12H10ClNO/c1-2-7-15-9-3-4-10-11(13)5-6-14-12(10)8-9/h2-6,8H,1,7H2
InChIKeyAJTIDMFPBCXUHN-UHFFFAOYSA-N
XLogP3.45
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-chloro-7-prop-2-enoxyquinoline?
The IUPAC name of 4-chloro-7-prop-2-enoxyquinoline (CID 78323997) is 4-chloro-7-prop-2-enoxyquinoline.
What is the SMILES notation for 4-chloro-7-prop-2-enoxyquinoline?
The canonical SMILES for 4-chloro-7-prop-2-enoxyquinoline is C=CCOc1ccc2c(Cl)ccnc2c1.
What is the InChIKey of 4-chloro-7-prop-2-enoxyquinoline?
The InChIKey is AJTIDMFPBCXUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c1-2-7-15-9-3-4-10-11(13)5-6-14-12(10)8-9/h2-6,8H,1,7H2.
What are the key properties of 4-chloro-7-prop-2-enoxyquinoline?
4-chloro-7-prop-2-enoxyquinoline has a molecular weight of 219.67 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-prop-2-enoxyquinoline is sourced from PubChem (CID 78323997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).