[1-[4-(diethylamino)phenyl]indolizin-3-yl]-phenylmethanone

C25H24N2O — CID 170222441

IUPAC[1-[4-(diethylamino)phenyl]indolizin-3-yl]-phenylmethanone
SMILESCCN(CC)c1ccc(-c2cc(C(=O)c3ccccc3)n3ccccc23)cc1
InChIInChI=1S/C25H24N2O/c1-3-26(4-2)21-15-13-19(14-16-21)22-18-24(27-17-9-8-12-23(22)27)25(28)20-10-6-5-7-11-20/h5-18H,3-4H2,1-2H3
InChIKeyXVNFQVUVNFFRDI-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.68
Rot. Bonds6

About [1-[4-(diethylamino)phenyl]indolizin-3-yl]-phenylmethanone

[1-[4-(diethylamino)phenyl]indolizin-3-yl]-phenylmethanone (PubChem CID 170222441) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is [1-[4-(diethylamino)phenyl]indolizin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[4-(diethylamino)phenyl]indolizin-3-yl]-phenylmethanone
PubChem CID170222441
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name[1-[4-(diethylamino)phenyl]indolizin-3-yl]-phenylmethanone
SMILESCCN(CC)c1ccc(-c2cc(C(=O)c3ccccc3)n3ccccc23)cc1
InChIInChI=1S/C25H24N2O/c1-3-26(4-2)21-15-13-19(14-16-21)22-18-24(27-17-9-8-12-23(22)27)25(28)20-10-6-5-7-11-20/h5-18H,3-4H2,1-2H3
InChIKeyXVNFQVUVNFFRDI-UHFFFAOYSA-N
XLogP5.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(diethylamino)phenyl]indolizin-3-yl]-phenylmethanone?
The IUPAC name of [1-[4-(diethylamino)phenyl]indolizin-3-yl]-phenylmethanone (CID 170222441) is [1-[4-(diethylamino)phenyl]indolizin-3-yl]-phenylmethanone.
What is the SMILES notation for [1-[4-(diethylamino)phenyl]indolizin-3-yl]-phenylmethanone?
The canonical SMILES for [1-[4-(diethylamino)phenyl]indolizin-3-yl]-phenylmethanone is CCN(CC)c1ccc(-c2cc(C(=O)c3ccccc3)n3ccccc23)cc1.
What is the InChIKey of [1-[4-(diethylamino)phenyl]indolizin-3-yl]-phenylmethanone?
The InChIKey is XVNFQVUVNFFRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-3-26(4-2)21-15-13-19(14-16-21)22-18-24(27-17-9-8-12-23(22)27)25(28)20-10-6-5-7-11-20/h5-18H,3-4H2,1-2H3.
What are the key properties of [1-[4-(diethylamino)phenyl]indolizin-3-yl]-phenylmethanone?
[1-[4-(diethylamino)phenyl]indolizin-3-yl]-phenylmethanone has a molecular weight of 368.48 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(diethylamino)phenyl]indolizin-3-yl]-phenylmethanone is sourced from PubChem (CID 170222441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).