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

C26H25ClN2O3 — CID 14770142

IUPAC10-chloro-1-(4-methoxypiperidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCOC1CCN(C(=O)c2cc(-c3ccccc3)c(=O)n3c2-c2cc(Cl)ccc2CC3)CC1
InChIInChI=1S/C26H25ClN2O3/c1-32-20-10-12-28(13-11-20)25(30)23-16-22(17-5-3-2-4-6-17)26(31)29-14-9-18-7-8-19(27)15-21(18)24(23)29/h2-8,15-16,20H,9-14H2,1H3
InChIKeyHORGIWXQIDGYOM-UHFFFAOYSA-N
MW448.95 g/mol
LogP4.64
Rot. Bonds3

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

10-chloro-1-(4-methoxypiperidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one (PubChem CID 14770142) has the molecular formula C26H25ClN2O3 and a molecular weight of 448.95 g/mol. Its IUPAC name is 10-chloro-1-(4-methoxypiperidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one.

Molecular Properties

Compound Name10-chloro-1-(4-methoxypiperidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
PubChem CID14770142
Molecular FormulaC26H25ClN2O3
Molecular Weight448.95 g/mol
Exact Mass448.16
IUPAC Name10-chloro-1-(4-methoxypiperidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCOC1CCN(C(=O)c2cc(-c3ccccc3)c(=O)n3c2-c2cc(Cl)ccc2CC3)CC1
InChIInChI=1S/C26H25ClN2O3/c1-32-20-10-12-28(13-11-20)25(30)23-16-22(17-5-3-2-4-6-17)26(31)29-14-9-18-7-8-19(27)15-21(18)24(23)29/h2-8,15-16,20H,9-14H2,1H3
InChIKeyHORGIWXQIDGYOM-UHFFFAOYSA-N
XLogP4.64
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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

Analyze 10-chloro-1-(4-methoxypiperidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one with MolForge

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Related Compounds

10-chloro-1-[4-(hydroxymethyl)piperidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 14770149
10-chloro-1-(3-hydroxypyrrolidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 10454840
10-chloro-1-(morpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 14666721
10-chloro-1-(2,6-dimethylmorpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 14666722
1-(4-methylpiperazine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one;hydrochloride
CID 19020491
(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl acetate
CID 14770154
2-(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
CID 139644037
10-chloro-6-ethyl-1-(morpholine-4-carbonyl)-3-phenyl-7H-pyrido[2,1-a]phthalazin-4-one
CID 19913682
10-(2,6-dimethylmorpholine-4-carbonyl)-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one
CID 14666690
10-chloro-1-(3-methoxyazetidine-1-carbonyl)-3-phenylbenzo[a]quinolizin-4-one
CID 14666749
2-(4-methoxypiperidine-1-carbonyl)benzoic acid
CID 43372663
(5-chloro-2-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43216619

Frequently Asked Questions

What is the IUPAC name of 10-chloro-1-(4-methoxypiperidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The IUPAC name of 10-chloro-1-(4-methoxypiperidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one (CID 14770142) is 10-chloro-1-(4-methoxypiperidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one.
What is the SMILES notation for 10-chloro-1-(4-methoxypiperidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The canonical SMILES for 10-chloro-1-(4-methoxypiperidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one is COC1CCN(C(=O)c2cc(-c3ccccc3)c(=O)n3c2-c2cc(Cl)ccc2CC3)CC1.
What is the InChIKey of 10-chloro-1-(4-methoxypiperidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The InChIKey is HORGIWXQIDGYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O3/c1-32-20-10-12-28(13-11-20)25(30)23-16-22(17-5-3-2-4-6-17)26(31)29-14-9-18-7-8-19(27)15-21(18)24(23)29/h2-8,15-16,20H,9-14H2,1H3.
What are the key properties of 10-chloro-1-(4-methoxypiperidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one?
10-chloro-1-(4-methoxypiperidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one has a molecular weight of 448.95 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-1-(4-methoxypiperidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one is sourced from PubChem (CID 14770142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).