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

C26H25ClN2O3 — CID 14770149

IUPAC10-chloro-1-[4-(hydroxymethyl)piperidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESO=C(c1cc(-c2ccccc2)c(=O)n2c1-c1cc(Cl)ccc1CC2)N1CCC(CO)CC1
InChIInChI=1S/C26H25ClN2O3/c27-20-7-6-19-10-13-29-24(21(19)14-20)23(25(31)28-11-8-17(16-30)9-12-28)15-22(26(29)32)18-4-2-1-3-5-18/h1-7,14-15,17,30H,8-13,16H2
InChIKeyQAOQNCLXYNBWRL-UHFFFAOYSA-N
MW448.95 g/mol
LogP4.24
Rot. Bonds3

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

10-chloro-1-[4-(hydroxymethyl)piperidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one (PubChem CID 14770149) has the molecular formula C26H25ClN2O3 and a molecular weight of 448.95 g/mol. Its IUPAC name is 10-chloro-1-[4-(hydroxymethyl)piperidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one.

Molecular Properties

Compound Name10-chloro-1-[4-(hydroxymethyl)piperidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
PubChem CID14770149
Molecular FormulaC26H25ClN2O3
Molecular Weight448.95 g/mol
Exact Mass448.16
IUPAC Name10-chloro-1-[4-(hydroxymethyl)piperidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESO=C(c1cc(-c2ccccc2)c(=O)n2c1-c1cc(Cl)ccc1CC2)N1CCC(CO)CC1
InChIInChI=1S/C26H25ClN2O3/c27-20-7-6-19-10-13-29-24(21(19)14-20)23(25(31)28-11-8-17(16-30)9-12-28)15-22(26(29)32)18-4-2-1-3-5-18/h1-7,14-15,17,30H,8-13,16H2
InChIKeyQAOQNCLXYNBWRL-UHFFFAOYSA-N
XLogP4.24
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-1-[4-(hydroxymethyl)piperidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The IUPAC name of 10-chloro-1-[4-(hydroxymethyl)piperidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one (CID 14770149) is 10-chloro-1-[4-(hydroxymethyl)piperidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one.
What is the SMILES notation for 10-chloro-1-[4-(hydroxymethyl)piperidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The canonical SMILES for 10-chloro-1-[4-(hydroxymethyl)piperidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one is O=C(c1cc(-c2ccccc2)c(=O)n2c1-c1cc(Cl)ccc1CC2)N1CCC(CO)CC1.
What is the InChIKey of 10-chloro-1-[4-(hydroxymethyl)piperidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The InChIKey is QAOQNCLXYNBWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O3/c27-20-7-6-19-10-13-29-24(21(19)14-20)23(25(31)28-11-8-17(16-30)9-12-28)15-22(26(29)32)18-4-2-1-3-5-18/h1-7,14-15,17,30H,8-13,16H2.
What are the key properties of 10-chloro-1-[4-(hydroxymethyl)piperidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one?
10-chloro-1-[4-(hydroxymethyl)piperidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one has a molecular weight of 448.95 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-1-[4-(hydroxymethyl)piperidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one is sourced from PubChem (CID 14770149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).