4-(3-chloroprop-2-enoxy)-2-methylquinoline

C13H12ClNO — CID 165347693

IUPAC4-(3-chloroprop-2-enoxy)-2-methylquinoline
SMILESCc1cc(OCC=CCl)c2ccccc2n1
InChIInChI=1S/C13H12ClNO/c1-10-9-13(16-8-4-7-14)11-5-2-3-6-12(11)15-10/h2-7,9H,8H2,1H3
InChIKeyQACQNVVPJNYMSY-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.67
Rot. Bonds3

About 4-(3-chloroprop-2-enoxy)-2-methylquinoline

4-(3-chloroprop-2-enoxy)-2-methylquinoline (PubChem CID 165347693) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 4-(3-chloroprop-2-enoxy)-2-methylquinoline.

Molecular Properties

Compound Name4-(3-chloroprop-2-enoxy)-2-methylquinoline
PubChem CID165347693
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name4-(3-chloroprop-2-enoxy)-2-methylquinoline
SMILESCc1cc(OCC=CCl)c2ccccc2n1
InChIInChI=1S/C13H12ClNO/c1-10-9-13(16-8-4-7-14)11-5-2-3-6-12(11)15-10/h2-7,9H,8H2,1H3
InChIKeyQACQNVVPJNYMSY-UHFFFAOYSA-N
XLogP3.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroprop-2-enoxy)-2-methylquinoline?
The IUPAC name of 4-(3-chloroprop-2-enoxy)-2-methylquinoline (CID 165347693) is 4-(3-chloroprop-2-enoxy)-2-methylquinoline.
What is the SMILES notation for 4-(3-chloroprop-2-enoxy)-2-methylquinoline?
The canonical SMILES for 4-(3-chloroprop-2-enoxy)-2-methylquinoline is Cc1cc(OCC=CCl)c2ccccc2n1.
What is the InChIKey of 4-(3-chloroprop-2-enoxy)-2-methylquinoline?
The InChIKey is QACQNVVPJNYMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-10-9-13(16-8-4-7-14)11-5-2-3-6-12(11)15-10/h2-7,9H,8H2,1H3.
What are the key properties of 4-(3-chloroprop-2-enoxy)-2-methylquinoline?
4-(3-chloroprop-2-enoxy)-2-methylquinoline has a molecular weight of 233.70 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroprop-2-enoxy)-2-methylquinoline is sourced from PubChem (CID 165347693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).