morpholin-4-yl-[2-phenyl-8-(2-phenylethynyl)quinolin-4-yl]methanone

C28H22N2O2 — CID 162644548

IUPACmorpholin-4-yl-[2-phenyl-8-(2-phenylethynyl)quinolin-4-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)nc2c(C#Cc3ccccc3)cccc12)N1CCOCC1
InChIInChI=1S/C28H22N2O2/c31-28(30-16-18-32-19-17-30)25-20-26(22-10-5-2-6-11-22)29-27-23(12-7-13-24(25)27)15-14-21-8-3-1-4-9-21/h1-13,20H,16-19H2
InChIKeyWVRQYABRYDTXPD-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.77
Rot. Bonds2

About morpholin-4-yl-[2-phenyl-8-(2-phenylethynyl)quinolin-4-yl]methanone

morpholin-4-yl-[2-phenyl-8-(2-phenylethynyl)quinolin-4-yl]methanone (PubChem CID 162644548) has the molecular formula C28H22N2O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is morpholin-4-yl-[2-phenyl-8-(2-phenylethynyl)quinolin-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[2-phenyl-8-(2-phenylethynyl)quinolin-4-yl]methanone
PubChem CID162644548
Molecular FormulaC28H22N2O2
Molecular Weight418.50 g/mol
Exact Mass418.17
IUPAC Namemorpholin-4-yl-[2-phenyl-8-(2-phenylethynyl)quinolin-4-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)nc2c(C#Cc3ccccc3)cccc12)N1CCOCC1
InChIInChI=1S/C28H22N2O2/c31-28(30-16-18-32-19-17-30)25-20-26(22-10-5-2-6-11-22)29-27-23(12-7-13-24(25)27)15-14-21-8-3-1-4-9-21/h1-13,20H,16-19H2
InChIKeyWVRQYABRYDTXPD-UHFFFAOYSA-N
XLogP4.77
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[2-phenyl-8-(2-phenylethynyl)quinolin-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[2-phenyl-8-(2-phenylethynyl)quinolin-4-yl]methanone (CID 162644548) is morpholin-4-yl-[2-phenyl-8-(2-phenylethynyl)quinolin-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[2-phenyl-8-(2-phenylethynyl)quinolin-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[2-phenyl-8-(2-phenylethynyl)quinolin-4-yl]methanone is O=C(c1cc(-c2ccccc2)nc2c(C#Cc3ccccc3)cccc12)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[2-phenyl-8-(2-phenylethynyl)quinolin-4-yl]methanone?
The InChIKey is WVRQYABRYDTXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O2/c31-28(30-16-18-32-19-17-30)25-20-26(22-10-5-2-6-11-22)29-27-23(12-7-13-24(25)27)15-14-21-8-3-1-4-9-21/h1-13,20H,16-19H2.
What are the key properties of morpholin-4-yl-[2-phenyl-8-(2-phenylethynyl)quinolin-4-yl]methanone?
morpholin-4-yl-[2-phenyl-8-(2-phenylethynyl)quinolin-4-yl]methanone has a molecular weight of 418.50 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[2-phenyl-8-(2-phenylethynyl)quinolin-4-yl]methanone is sourced from PubChem (CID 162644548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).