4-chloro-2-cyclopropyl-6-phenoxyquinoline

C18H14ClNO — CID 63408910

IUPAC4-chloro-2-cyclopropyl-6-phenoxyquinoline
SMILESClc1cc(C2CC2)nc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C18H14ClNO/c19-16-11-18(12-6-7-12)20-17-9-8-14(10-15(16)17)21-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2
InChIKeyHHULBCPPKNJKJP-UHFFFAOYSA-N
MW295.77 g/mol
LogP5.56
Rot. Bonds3

About 4-chloro-2-cyclopropyl-6-phenoxyquinoline

4-chloro-2-cyclopropyl-6-phenoxyquinoline (PubChem CID 63408910) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-phenoxyquinoline.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-phenoxyquinoline
PubChem CID63408910
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC Name4-chloro-2-cyclopropyl-6-phenoxyquinoline
SMILESClc1cc(C2CC2)nc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C18H14ClNO/c19-16-11-18(12-6-7-12)20-17-9-8-14(10-15(16)17)21-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2
InChIKeyHHULBCPPKNJKJP-UHFFFAOYSA-N
XLogP5.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.77
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-phenoxyquinoline?
The IUPAC name of 4-chloro-2-cyclopropyl-6-phenoxyquinoline (CID 63408910) is 4-chloro-2-cyclopropyl-6-phenoxyquinoline.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-phenoxyquinoline?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-phenoxyquinoline is Clc1cc(C2CC2)nc2ccc(Oc3ccccc3)cc12.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-phenoxyquinoline?
The InChIKey is HHULBCPPKNJKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO/c19-16-11-18(12-6-7-12)20-17-9-8-14(10-15(16)17)21-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2.
What are the key properties of 4-chloro-2-cyclopropyl-6-phenoxyquinoline?
4-chloro-2-cyclopropyl-6-phenoxyquinoline has a molecular weight of 295.77 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-phenoxyquinoline is sourced from PubChem (CID 63408910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).