1-(4-methylpiperazine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one;hydrochloride

C25H26ClN3O2 — CID 19020491

IUPAC1-(4-methylpiperazine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one;hydrochloride
SMILESCN1CCN(C(=O)c2cc(-c3ccccc3)c(=O)n3c2-c2ccccc2CC3)CC1.Cl
InChIInChI=1S/C25H25N3O2.ClH/c1-26-13-15-27(16-14-26)24(29)22-17-21(18-7-3-2-4-8-18)25(30)28-12-11-19-9-5-6-10-20(19)23(22)28;/h2-10,17H,11-16H2,1H3;1H
InChIKeyLAXCXSQJQMHEOC-UHFFFAOYSA-N
MW435.96 g/mol
LogP3.55
Rot. Bonds2

About 1-(4-methylpiperazine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one;hydrochloride

1-(4-methylpiperazine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one;hydrochloride (PubChem CID 19020491) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is 1-(4-methylpiperazine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one;hydrochloride.

Molecular Properties

Compound Name1-(4-methylpiperazine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one;hydrochloride
PubChem CID19020491
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC Name1-(4-methylpiperazine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one;hydrochloride
SMILESCN1CCN(C(=O)c2cc(-c3ccccc3)c(=O)n3c2-c2ccccc2CC3)CC1.Cl
InChIInChI=1S/C25H25N3O2.ClH/c1-26-13-15-27(16-14-26)24(29)22-17-21(18-7-3-2-4-8-18)25(30)28-12-11-19-9-5-6-10-20(19)23(22)28;/h2-10,17H,11-16H2,1H3;1H
InChIKeyLAXCXSQJQMHEOC-UHFFFAOYSA-N
XLogP3.55
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one;hydrochloride?
The IUPAC name of 1-(4-methylpiperazine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one;hydrochloride (CID 19020491) is 1-(4-methylpiperazine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one;hydrochloride.
What is the SMILES notation for 1-(4-methylpiperazine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one;hydrochloride?
The canonical SMILES for 1-(4-methylpiperazine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one;hydrochloride is CN1CCN(C(=O)c2cc(-c3ccccc3)c(=O)n3c2-c2ccccc2CC3)CC1.Cl.
What is the InChIKey of 1-(4-methylpiperazine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one;hydrochloride?
The InChIKey is LAXCXSQJQMHEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2.ClH/c1-26-13-15-27(16-14-26)24(29)22-17-21(18-7-3-2-4-8-18)25(30)28-12-11-19-9-5-6-10-20(19)23(22)28;/h2-10,17H,11-16H2,1H3;1H.
What are the key properties of 1-(4-methylpiperazine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one;hydrochloride?
1-(4-methylpiperazine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one;hydrochloride has a molecular weight of 435.96 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one;hydrochloride is sourced from PubChem (CID 19020491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).