[4-[3-(dipropylamino)propoxy]phenyl]-[2-(4-fluorophenyl)indolizin-3-yl]methanone

C30H33FN2O2 — CID 12844826

IUPAC[4-[3-(dipropylamino)propoxy]phenyl]-[2-(4-fluorophenyl)indolizin-3-yl]methanone
SMILESCCCN(CCC)CCCOc1ccc(C(=O)c2c(-c3ccc(F)cc3)cc3ccccn23)cc1
InChIInChI=1S/C30H33FN2O2/c1-3-17-32(18-4-2)19-7-21-35-27-15-11-24(12-16-27)30(34)29-28(23-9-13-25(31)14-10-23)22-26-8-5-6-20-33(26)29/h5-6,8-16,20,22H,3-4,7,17-19,21H2,1-2H3
InChIKeyQGMXLISEGVYWOP-UHFFFAOYSA-N
MW472.60 g/mol
LogP6.87
Rot. Bonds12

About [4-[3-(dipropylamino)propoxy]phenyl]-[2-(4-fluorophenyl)indolizin-3-yl]methanone

[4-[3-(dipropylamino)propoxy]phenyl]-[2-(4-fluorophenyl)indolizin-3-yl]methanone (PubChem CID 12844826) has the molecular formula C30H33FN2O2 and a molecular weight of 472.60 g/mol. Its IUPAC name is [4-[3-(dipropylamino)propoxy]phenyl]-[2-(4-fluorophenyl)indolizin-3-yl]methanone.

Molecular Properties

Compound Name[4-[3-(dipropylamino)propoxy]phenyl]-[2-(4-fluorophenyl)indolizin-3-yl]methanone
PubChem CID12844826
Molecular FormulaC30H33FN2O2
Molecular Weight472.60 g/mol
Exact Mass472.25
IUPAC Name[4-[3-(dipropylamino)propoxy]phenyl]-[2-(4-fluorophenyl)indolizin-3-yl]methanone
SMILESCCCN(CCC)CCCOc1ccc(C(=O)c2c(-c3ccc(F)cc3)cc3ccccn23)cc1
InChIInChI=1S/C30H33FN2O2/c1-3-17-32(18-4-2)19-7-21-35-27-15-11-24(12-16-27)30(34)29-28(23-9-13-25(31)14-10-23)22-26-8-5-6-20-33(26)29/h5-6,8-16,20,22H,3-4,7,17-19,21H2,1-2H3
InChIKeyQGMXLISEGVYWOP-UHFFFAOYSA-N
XLogP6.87
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.60
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(dipropylamino)propoxy]phenyl]-[2-(4-fluorophenyl)indolizin-3-yl]methanone?
The IUPAC name of [4-[3-(dipropylamino)propoxy]phenyl]-[2-(4-fluorophenyl)indolizin-3-yl]methanone (CID 12844826) is [4-[3-(dipropylamino)propoxy]phenyl]-[2-(4-fluorophenyl)indolizin-3-yl]methanone.
What is the SMILES notation for [4-[3-(dipropylamino)propoxy]phenyl]-[2-(4-fluorophenyl)indolizin-3-yl]methanone?
The canonical SMILES for [4-[3-(dipropylamino)propoxy]phenyl]-[2-(4-fluorophenyl)indolizin-3-yl]methanone is CCCN(CCC)CCCOc1ccc(C(=O)c2c(-c3ccc(F)cc3)cc3ccccn23)cc1.
What is the InChIKey of [4-[3-(dipropylamino)propoxy]phenyl]-[2-(4-fluorophenyl)indolizin-3-yl]methanone?
The InChIKey is QGMXLISEGVYWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN2O2/c1-3-17-32(18-4-2)19-7-21-35-27-15-11-24(12-16-27)30(34)29-28(23-9-13-25(31)14-10-23)22-26-8-5-6-20-33(26)29/h5-6,8-16,20,22H,3-4,7,17-19,21H2,1-2H3.
What are the key properties of [4-[3-(dipropylamino)propoxy]phenyl]-[2-(4-fluorophenyl)indolizin-3-yl]methanone?
[4-[3-(dipropylamino)propoxy]phenyl]-[2-(4-fluorophenyl)indolizin-3-yl]methanone has a molecular weight of 472.60 g/mol, XLogP of 6.87, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(dipropylamino)propoxy]phenyl]-[2-(4-fluorophenyl)indolizin-3-yl]methanone is sourced from PubChem (CID 12844826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).