2-(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride

C25H27Cl2N3O2 — CID 139644037

IUPAC2-(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
SMILESCN(C)CCNC(=O)Cc1cc(-c2ccccc2)c(=O)n2c1-c1cc(Cl)ccc1CC2.Cl
InChIInChI=1S/C25H26ClN3O2.ClH/c1-28(2)13-11-27-23(30)15-19-14-22(17-6-4-3-5-7-17)25(31)29-12-10-18-8-9-20(26)16-21(18)24(19)29;/h3-9,14,16H,10-13,15H2,1-2H3,(H,27,30);1H
InChIKeyZVLBIJWXLAHQDF-UHFFFAOYSA-N
MW472.42 g/mol
LogP4.03
Rot. Bonds6

About 2-(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride

2-(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride (PubChem CID 139644037) has the molecular formula C25H27Cl2N3O2 and a molecular weight of 472.42 g/mol. Its IUPAC name is 2-(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
PubChem CID139644037
Molecular FormulaC25H27Cl2N3O2
Molecular Weight472.42 g/mol
Exact Mass471.15
IUPAC Name2-(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
SMILESCN(C)CCNC(=O)Cc1cc(-c2ccccc2)c(=O)n2c1-c1cc(Cl)ccc1CC2.Cl
InChIInChI=1S/C25H26ClN3O2.ClH/c1-28(2)13-11-27-23(30)15-19-14-22(17-6-4-3-5-7-17)25(31)29-12-10-18-8-9-20(26)16-21(18)24(19)29;/h3-9,14,16H,10-13,15H2,1-2H3,(H,27,30);1H
InChIKeyZVLBIJWXLAHQDF-UHFFFAOYSA-N
XLogP4.03
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride (CID 139644037) is 2-(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride is CN(C)CCNC(=O)Cc1cc(-c2ccccc2)c(=O)n2c1-c1cc(Cl)ccc1CC2.Cl.
What is the InChIKey of 2-(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride?
The InChIKey is ZVLBIJWXLAHQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2.ClH/c1-28(2)13-11-27-23(30)15-19-14-22(17-6-4-3-5-7-17)25(31)29-12-10-18-8-9-20(26)16-21(18)24(19)29;/h3-9,14,16H,10-13,15H2,1-2H3,(H,27,30);1H.
What are the key properties of 2-(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride?
2-(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride has a molecular weight of 472.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 139644037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).