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

C24H21ClN2O3 — CID 14666721

IUPAC10-chloro-1-(morpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESO=C(c1cc(-c2ccccc2)c(=O)n2c1-c1cc(Cl)ccc1CC2)N1CCOCC1
InChIInChI=1S/C24H21ClN2O3/c25-18-7-6-17-8-9-27-22(19(17)14-18)21(23(28)26-10-12-30-13-11-26)15-20(24(27)29)16-4-2-1-3-5-16/h1-7,14-15H,8-13H2
InChIKeyBNGLWNIBADVWNR-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.86
Rot. Bonds2

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

10-chloro-1-(morpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one (PubChem CID 14666721) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is 10-chloro-1-(morpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one.

Molecular Properties

Compound Name10-chloro-1-(morpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
PubChem CID14666721
Molecular FormulaC24H21ClN2O3
Molecular Weight420.90 g/mol
Exact Mass420.12
IUPAC Name10-chloro-1-(morpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESO=C(c1cc(-c2ccccc2)c(=O)n2c1-c1cc(Cl)ccc1CC2)N1CCOCC1
InChIInChI=1S/C24H21ClN2O3/c25-18-7-6-17-8-9-27-22(19(17)14-18)21(23(28)26-10-12-30-13-11-26)15-20(24(27)29)16-4-2-1-3-5-16/h1-7,14-15H,8-13H2
InChIKeyBNGLWNIBADVWNR-UHFFFAOYSA-N
XLogP3.86
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-1-(morpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The IUPAC name of 10-chloro-1-(morpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one (CID 14666721) is 10-chloro-1-(morpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one.
What is the SMILES notation for 10-chloro-1-(morpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The canonical SMILES for 10-chloro-1-(morpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one is O=C(c1cc(-c2ccccc2)c(=O)n2c1-c1cc(Cl)ccc1CC2)N1CCOCC1.
What is the InChIKey of 10-chloro-1-(morpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The InChIKey is BNGLWNIBADVWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c25-18-7-6-17-8-9-27-22(19(17)14-18)21(23(28)26-10-12-30-13-11-26)15-20(24(27)29)16-4-2-1-3-5-16/h1-7,14-15H,8-13H2.
What are the key properties of 10-chloro-1-(morpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one?
10-chloro-1-(morpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one has a molecular weight of 420.90 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-1-(morpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one is sourced from PubChem (CID 14666721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).