4-[3-[2-(4-phenylphenyl)indolizin-3-yl]propyl]morpholine

C27H28N2O — CID 170871049

IUPAC4-[3-[2-(4-phenylphenyl)indolizin-3-yl]propyl]morpholine
SMILESc1ccc(-c2ccc(-c3cc4ccccn4c3CCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C27H28N2O/c1-2-7-22(8-3-1)23-11-13-24(14-12-23)26-21-25-9-4-5-16-29(25)27(26)10-6-15-28-17-19-30-20-18-28/h1-5,7-9,11-14,16,21H,6,10,15,17-20H2
InChIKeyNJNMHVZKCJPSCI-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.54
Rot. Bonds6

About 4-[3-[2-(4-phenylphenyl)indolizin-3-yl]propyl]morpholine

4-[3-[2-(4-phenylphenyl)indolizin-3-yl]propyl]morpholine (PubChem CID 170871049) has the molecular formula C27H28N2O and a molecular weight of 396.53 g/mol. Its IUPAC name is 4-[3-[2-(4-phenylphenyl)indolizin-3-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-(4-phenylphenyl)indolizin-3-yl]propyl]morpholine
PubChem CID170871049
Molecular FormulaC27H28N2O
Molecular Weight396.53 g/mol
Exact Mass396.22
IUPAC Name4-[3-[2-(4-phenylphenyl)indolizin-3-yl]propyl]morpholine
SMILESc1ccc(-c2ccc(-c3cc4ccccn4c3CCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C27H28N2O/c1-2-7-22(8-3-1)23-11-13-24(14-12-23)26-21-25-9-4-5-16-29(25)27(26)10-6-15-28-17-19-30-20-18-28/h1-5,7-9,11-14,16,21H,6,10,15,17-20H2
InChIKeyNJNMHVZKCJPSCI-UHFFFAOYSA-N
XLogP5.54
TPSA16.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-morpholin-4-ylpropyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 8707548
(2-phenylindolizin-3-yl)methanamine
CID 45496730
4-[3-[4-(2-chlorophenyl)phenyl]propyl]morpholine
CID 170869885
4-[3-[3-(4-methylphenyl)phenyl]propyl]morpholine
CID 170869539
3-(morpholin-4-ylmethyl)indolizine-2-carbaldehyde
CID 118572953
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
4-(1-phenylindolizin-3-yl)morpholine
CID 12946097
4-(2-imidazo[1,5-a]pyridin-3-ylethyl)morpholine
CID 68830016
4-[3-[3-(2-chlorophenyl)phenyl]propyl]morpholine
CID 170869982
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
N-(3-morpholin-4-ylpropyl)-5-phenylpyridin-2-amine
CID 141285664
4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine
CID 170870035

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4-phenylphenyl)indolizin-3-yl]propyl]morpholine?
The IUPAC name of 4-[3-[2-(4-phenylphenyl)indolizin-3-yl]propyl]morpholine (CID 170871049) is 4-[3-[2-(4-phenylphenyl)indolizin-3-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2-(4-phenylphenyl)indolizin-3-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[2-(4-phenylphenyl)indolizin-3-yl]propyl]morpholine is c1ccc(-c2ccc(-c3cc4ccccn4c3CCCN3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[3-[2-(4-phenylphenyl)indolizin-3-yl]propyl]morpholine?
The InChIKey is NJNMHVZKCJPSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O/c1-2-7-22(8-3-1)23-11-13-24(14-12-23)26-21-25-9-4-5-16-29(25)27(26)10-6-15-28-17-19-30-20-18-28/h1-5,7-9,11-14,16,21H,6,10,15,17-20H2.
What are the key properties of 4-[3-[2-(4-phenylphenyl)indolizin-3-yl]propyl]morpholine?
4-[3-[2-(4-phenylphenyl)indolizin-3-yl]propyl]morpholine has a molecular weight of 396.53 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4-phenylphenyl)indolizin-3-yl]propyl]morpholine is sourced from PubChem (CID 170871049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).