[4-[4-(diethylamino)butyl]phenyl]-(2-propylindolizin-3-yl)methanone;hydrochloride

C26H35ClN2O — CID 16733875

IUPAC[4-[4-(diethylamino)butyl]phenyl]-(2-propylindolizin-3-yl)methanone;hydrochloride
SMILESCCCc1cc2ccccn2c1C(=O)c1ccc(CCCCN(CC)CC)cc1.Cl
InChIInChI=1S/C26H34N2O.ClH/c1-4-11-23-20-24-13-8-10-19-28(24)25(23)26(29)22-16-14-21(15-17-22)12-7-9-18-27(5-2)6-3;/h8,10,13-17,19-20H,4-7,9,11-12,18H2,1-3H3;1H
InChIKeyDFJITGQKHMFYNX-UHFFFAOYSA-N
MW427.03 g/mol
LogP6.21
Rot. Bonds11

About [4-[4-(diethylamino)butyl]phenyl]-(2-propylindolizin-3-yl)methanone;hydrochloride

[4-[4-(diethylamino)butyl]phenyl]-(2-propylindolizin-3-yl)methanone;hydrochloride (PubChem CID 16733875) has the molecular formula C26H35ClN2O and a molecular weight of 427.03 g/mol. Its IUPAC name is [4-[4-(diethylamino)butyl]phenyl]-(2-propylindolizin-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-[4-(diethylamino)butyl]phenyl]-(2-propylindolizin-3-yl)methanone;hydrochloride
PubChem CID16733875
Molecular FormulaC26H35ClN2O
Molecular Weight427.03 g/mol
Exact Mass426.24
IUPAC Name[4-[4-(diethylamino)butyl]phenyl]-(2-propylindolizin-3-yl)methanone;hydrochloride
SMILESCCCc1cc2ccccn2c1C(=O)c1ccc(CCCCN(CC)CC)cc1.Cl
InChIInChI=1S/C26H34N2O.ClH/c1-4-11-23-20-24-13-8-10-19-28(24)25(23)26(29)22-16-14-21(15-17-22)12-7-9-18-27(5-2)6-3;/h8,10,13-17,19-20H,4-7,9,11-12,18H2,1-3H3;1H
InChIKeyDFJITGQKHMFYNX-UHFFFAOYSA-N
XLogP6.21
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.03
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[4-(diethylamino)butyl]phenyl]-(2-propylindolizin-3-yl)methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-butylindolizin-3-yl)-[4-[3-(dipropylamino)propyl]phenyl]methanone
CID 16733878
(2-butylindolizin-3-yl)-[4-[3-[cyclopropylmethyl(propyl)amino]propyl]phenyl]methanone;hydrochloride
CID 16734133
(2-butylindolizin-3-yl)-[4-[3-[cyclopropylmethyl(propyl)amino]propyl]phenyl]methanone
CID 16734134
(2-butylindolizin-3-yl)-[4-[3-(propylamino)propyl]phenyl]methanone;hydrochloride
CID 16734825
methyl (2S)-2-[[2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]indolizine-7-carbonyl]-ethylamino]propanoate
CID 57334658
(3,5-dichloro-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone
CID 13029405
methane;methyl (2S)-2-[[2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]indolizine-7-carbonyl]-ethylamino]propanoate
CID 161476051
[4-[3-(dibutylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone
CID 12844816
5-(2-butylindolizine-3-carbonyl)-8-[3-[butyl(propyl)amino]propyl]-1,4-benzodioxine-2,3-dione
CID 140531891
2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-N-propan-2-yl-N-(2-propan-2-yloxyethyl)indolizine-7-carboxamide
CID 57334659
N-ethyl-N-[(E)-4-[4-(2-ethylindolizine-3-carbonyl)phenyl]but-3-en-2-yl]acetamide
CID 118344225
N,N-diethyl-17-phenylheptadecan-1-amine;hydrochloride
CID 173450606

Frequently Asked Questions

What is the IUPAC name of [4-[4-(diethylamino)butyl]phenyl]-(2-propylindolizin-3-yl)methanone;hydrochloride?
The IUPAC name of [4-[4-(diethylamino)butyl]phenyl]-(2-propylindolizin-3-yl)methanone;hydrochloride (CID 16733875) is [4-[4-(diethylamino)butyl]phenyl]-(2-propylindolizin-3-yl)methanone;hydrochloride.
What is the SMILES notation for [4-[4-(diethylamino)butyl]phenyl]-(2-propylindolizin-3-yl)methanone;hydrochloride?
The canonical SMILES for [4-[4-(diethylamino)butyl]phenyl]-(2-propylindolizin-3-yl)methanone;hydrochloride is CCCc1cc2ccccn2c1C(=O)c1ccc(CCCCN(CC)CC)cc1.Cl.
What is the InChIKey of [4-[4-(diethylamino)butyl]phenyl]-(2-propylindolizin-3-yl)methanone;hydrochloride?
The InChIKey is DFJITGQKHMFYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O.ClH/c1-4-11-23-20-24-13-8-10-19-28(24)25(23)26(29)22-16-14-21(15-17-22)12-7-9-18-27(5-2)6-3;/h8,10,13-17,19-20H,4-7,9,11-12,18H2,1-3H3;1H.
What are the key properties of [4-[4-(diethylamino)butyl]phenyl]-(2-propylindolizin-3-yl)methanone;hydrochloride?
[4-[4-(diethylamino)butyl]phenyl]-(2-propylindolizin-3-yl)methanone;hydrochloride has a molecular weight of 427.03 g/mol, XLogP of 6.21, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(diethylamino)butyl]phenyl]-(2-propylindolizin-3-yl)methanone;hydrochloride is sourced from PubChem (CID 16733875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).