2-(4-cyclopropyloxyphenyl)-4-phenylquinoline

C24H19NO — CID 135018396

IUPAC2-(4-cyclopropyloxyphenyl)-4-phenylquinoline
SMILESc1ccc(-c2cc(-c3ccc(OC4CC4)cc3)nc3ccccc23)cc1
InChIInChI=1S/C24H19NO/c1-2-6-17(7-3-1)22-16-24(25-23-9-5-4-8-21(22)23)18-10-12-19(13-11-18)26-20-14-15-20/h1-13,16,20H,14-15H2
InChIKeyANWWFYJGCSLTKR-UHFFFAOYSA-N
MW337.42 g/mol
LogP6.11
Rot. Bonds4

About 2-(4-cyclopropyloxyphenyl)-4-phenylquinoline

2-(4-cyclopropyloxyphenyl)-4-phenylquinoline (PubChem CID 135018396) has the molecular formula C24H19NO and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(4-cyclopropyloxyphenyl)-4-phenylquinoline.

Molecular Properties

Compound Name2-(4-cyclopropyloxyphenyl)-4-phenylquinoline
PubChem CID135018396
Molecular FormulaC24H19NO
Molecular Weight337.42 g/mol
Exact Mass337.15
IUPAC Name2-(4-cyclopropyloxyphenyl)-4-phenylquinoline
SMILESc1ccc(-c2cc(-c3ccc(OC4CC4)cc3)nc3ccccc23)cc1
InChIInChI=1S/C24H19NO/c1-2-6-17(7-3-1)22-16-24(25-23-9-5-4-8-21(22)23)18-10-12-19(13-11-18)26-20-14-15-20/h1-13,16,20H,14-15H2
InChIKeyANWWFYJGCSLTKR-UHFFFAOYSA-N
XLogP6.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyloxyphenyl)-4-phenylquinoline?
The IUPAC name of 2-(4-cyclopropyloxyphenyl)-4-phenylquinoline (CID 135018396) is 2-(4-cyclopropyloxyphenyl)-4-phenylquinoline.
What is the SMILES notation for 2-(4-cyclopropyloxyphenyl)-4-phenylquinoline?
The canonical SMILES for 2-(4-cyclopropyloxyphenyl)-4-phenylquinoline is c1ccc(-c2cc(-c3ccc(OC4CC4)cc3)nc3ccccc23)cc1.
What is the InChIKey of 2-(4-cyclopropyloxyphenyl)-4-phenylquinoline?
The InChIKey is ANWWFYJGCSLTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO/c1-2-6-17(7-3-1)22-16-24(25-23-9-5-4-8-21(22)23)18-10-12-19(13-11-18)26-20-14-15-20/h1-13,16,20H,14-15H2.
What are the key properties of 2-(4-cyclopropyloxyphenyl)-4-phenylquinoline?
2-(4-cyclopropyloxyphenyl)-4-phenylquinoline has a molecular weight of 337.42 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyloxyphenyl)-4-phenylquinoline is sourced from PubChem (CID 135018396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).