10-chloro-1-(2,6-dimethylmorpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one

C26H25ClN2O3 — CID 14666722

IUPAC10-chloro-1-(2,6-dimethylmorpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCC1CN(C(=O)c2cc(-c3ccccc3)c(=O)n3c2-c2cc(Cl)ccc2CC3)CC(C)O1
InChIInChI=1S/C26H25ClN2O3/c1-16-14-28(15-17(2)32-16)25(30)23-13-22(18-6-4-3-5-7-18)26(31)29-11-10-19-8-9-20(27)12-21(19)24(23)29/h3-9,12-13,16-17H,10-11,14-15H2,1-2H3
InChIKeyCTEDQRZTQAXZKG-UHFFFAOYSA-N
MW448.95 g/mol
LogP4.64
Rot. Bonds2

About 10-chloro-1-(2,6-dimethylmorpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one

10-chloro-1-(2,6-dimethylmorpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one (PubChem CID 14666722) has the molecular formula C26H25ClN2O3 and a molecular weight of 448.95 g/mol. Its IUPAC name is 10-chloro-1-(2,6-dimethylmorpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one.

Molecular Properties

Compound Name10-chloro-1-(2,6-dimethylmorpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
PubChem CID14666722
Molecular FormulaC26H25ClN2O3
Molecular Weight448.95 g/mol
Exact Mass448.16
IUPAC Name10-chloro-1-(2,6-dimethylmorpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCC1CN(C(=O)c2cc(-c3ccccc3)c(=O)n3c2-c2cc(Cl)ccc2CC3)CC(C)O1
InChIInChI=1S/C26H25ClN2O3/c1-16-14-28(15-17(2)32-16)25(30)23-13-22(18-6-4-3-5-7-18)26(31)29-11-10-19-8-9-20(27)12-21(19)24(23)29/h3-9,12-13,16-17H,10-11,14-15H2,1-2H3
InChIKeyCTEDQRZTQAXZKG-UHFFFAOYSA-N
XLogP4.64
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-1-(2,6-dimethylmorpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The IUPAC name of 10-chloro-1-(2,6-dimethylmorpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one (CID 14666722) is 10-chloro-1-(2,6-dimethylmorpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one.
What is the SMILES notation for 10-chloro-1-(2,6-dimethylmorpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The canonical SMILES for 10-chloro-1-(2,6-dimethylmorpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one is CC1CN(C(=O)c2cc(-c3ccccc3)c(=O)n3c2-c2cc(Cl)ccc2CC3)CC(C)O1.
What is the InChIKey of 10-chloro-1-(2,6-dimethylmorpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The InChIKey is CTEDQRZTQAXZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O3/c1-16-14-28(15-17(2)32-16)25(30)23-13-22(18-6-4-3-5-7-18)26(31)29-11-10-19-8-9-20(27)12-21(19)24(23)29/h3-9,12-13,16-17H,10-11,14-15H2,1-2H3.
What are the key properties of 10-chloro-1-(2,6-dimethylmorpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one?
10-chloro-1-(2,6-dimethylmorpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one has a molecular weight of 448.95 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-1-(2,6-dimethylmorpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one is sourced from PubChem (CID 14666722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).