10-chloro-1-(3-methoxyazetidine-1-carbonyl)-3-phenylbenzo[a]quinolizin-4-one

C24H19ClN2O3 — CID 14666749

IUPAC10-chloro-1-(3-methoxyazetidine-1-carbonyl)-3-phenylbenzo[a]quinolizin-4-one
SMILESCOC1CN(C(=O)c2cc(-c3ccccc3)c(=O)n3ccc4ccc(Cl)cc4c23)C1
InChIInChI=1S/C24H19ClN2O3/c1-30-18-13-26(14-18)23(28)21-12-20(15-5-3-2-4-6-15)24(29)27-10-9-16-7-8-17(25)11-19(16)22(21)27/h2-12,18H,13-14H2,1H3
InChIKeyDMSVZKZVUHATIB-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.24
Rot. Bonds3

About 10-chloro-1-(3-methoxyazetidine-1-carbonyl)-3-phenylbenzo[a]quinolizin-4-one

10-chloro-1-(3-methoxyazetidine-1-carbonyl)-3-phenylbenzo[a]quinolizin-4-one (PubChem CID 14666749) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is 10-chloro-1-(3-methoxyazetidine-1-carbonyl)-3-phenylbenzo[a]quinolizin-4-one.

Molecular Properties

Compound Name10-chloro-1-(3-methoxyazetidine-1-carbonyl)-3-phenylbenzo[a]quinolizin-4-one
PubChem CID14666749
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC Name10-chloro-1-(3-methoxyazetidine-1-carbonyl)-3-phenylbenzo[a]quinolizin-4-one
SMILESCOC1CN(C(=O)c2cc(-c3ccccc3)c(=O)n3ccc4ccc(Cl)cc4c23)C1
InChIInChI=1S/C24H19ClN2O3/c1-30-18-13-26(14-18)23(28)21-12-20(15-5-3-2-4-6-15)24(29)27-10-9-16-7-8-17(25)11-19(16)22(21)27/h2-12,18H,13-14H2,1H3
InChIKeyDMSVZKZVUHATIB-UHFFFAOYSA-N
XLogP4.24
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-phenyl-10-(3-propan-2-yloxypyrrolidine-1-carbonyl)thieno[2,3-a]quinolizin-7-one
CID 14770085
10-chloro-1-(4-methoxypiperidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 14770142
13-(3-methoxyazetidine-1-carbonyl)-11-phenyl-3-thia-8,9-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,11-tetraen-10-one
CID 19913666
10-chloro-1-(2,6-dimethylmorpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 14666722
(2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone
CID 71979962
(5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone
CID 70713898
10-chloro-1-(3-hydroxypyrrolidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 10454840
10-chloro-1-[4-(hydroxymethyl)piperidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 14770149
methyl 7-oxo-8-(4-phenylphenyl)thieno[2,3-a]quinolizine-10-carboxylate
CID 19353618
[(2R)-1-(7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carbonyl)pyrrolidin-2-yl]methyl acetate
CID 22942350
3-chloro-2-[5-(3-chlorophenyl)-3-(3-methoxyazetidine-1-carbonyl)-6-oxo-1H-pyridin-2-yl]benzonitrile
CID 18957081
(5-bromo-2-fluorophenyl)-(3-methoxyazetidin-1-yl)methanone
CID 157010623

Frequently Asked Questions

What is the IUPAC name of 10-chloro-1-(3-methoxyazetidine-1-carbonyl)-3-phenylbenzo[a]quinolizin-4-one?
The IUPAC name of 10-chloro-1-(3-methoxyazetidine-1-carbonyl)-3-phenylbenzo[a]quinolizin-4-one (CID 14666749) is 10-chloro-1-(3-methoxyazetidine-1-carbonyl)-3-phenylbenzo[a]quinolizin-4-one.
What is the SMILES notation for 10-chloro-1-(3-methoxyazetidine-1-carbonyl)-3-phenylbenzo[a]quinolizin-4-one?
The canonical SMILES for 10-chloro-1-(3-methoxyazetidine-1-carbonyl)-3-phenylbenzo[a]quinolizin-4-one is COC1CN(C(=O)c2cc(-c3ccccc3)c(=O)n3ccc4ccc(Cl)cc4c23)C1.
What is the InChIKey of 10-chloro-1-(3-methoxyazetidine-1-carbonyl)-3-phenylbenzo[a]quinolizin-4-one?
The InChIKey is DMSVZKZVUHATIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c1-30-18-13-26(14-18)23(28)21-12-20(15-5-3-2-4-6-15)24(29)27-10-9-16-7-8-17(25)11-19(16)22(21)27/h2-12,18H,13-14H2,1H3.
What are the key properties of 10-chloro-1-(3-methoxyazetidine-1-carbonyl)-3-phenylbenzo[a]quinolizin-4-one?
10-chloro-1-(3-methoxyazetidine-1-carbonyl)-3-phenylbenzo[a]quinolizin-4-one has a molecular weight of 418.88 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-1-(3-methoxyazetidine-1-carbonyl)-3-phenylbenzo[a]quinolizin-4-one is sourced from PubChem (CID 14666749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).