2-chloro-10-(3-phenoxypropyl)acridin-9-one

C22H18ClNO2 — CID 139792441

IUPAC2-chloro-10-(3-phenoxypropyl)acridin-9-one
SMILESO=c1c2ccccc2n(CCCOc2ccccc2)c2ccc(Cl)cc12
InChIInChI=1S/C22H18ClNO2/c23-16-11-12-21-19(15-16)22(25)18-9-4-5-10-20(18)24(21)13-6-14-26-17-7-2-1-3-8-17/h1-5,7-12,15H,6,13-14H2
InChIKeyWGINVEJZLYZHGD-UHFFFAOYSA-N
MW363.84 g/mol
LogP5.28
Rot. Bonds5

About 2-chloro-10-(3-phenoxypropyl)acridin-9-one

2-chloro-10-(3-phenoxypropyl)acridin-9-one (PubChem CID 139792441) has the molecular formula C22H18ClNO2 and a molecular weight of 363.84 g/mol. Its IUPAC name is 2-chloro-10-(3-phenoxypropyl)acridin-9-one.

Molecular Properties

Compound Name2-chloro-10-(3-phenoxypropyl)acridin-9-one
PubChem CID139792441
Molecular FormulaC22H18ClNO2
Molecular Weight363.84 g/mol
Exact Mass363.10
IUPAC Name2-chloro-10-(3-phenoxypropyl)acridin-9-one
SMILESO=c1c2ccccc2n(CCCOc2ccccc2)c2ccc(Cl)cc12
InChIInChI=1S/C22H18ClNO2/c23-16-11-12-21-19(15-16)22(25)18-9-4-5-10-20(18)24(21)13-6-14-26-17-7-2-1-3-8-17/h1-5,7-12,15H,6,13-14H2
InChIKeyWGINVEJZLYZHGD-UHFFFAOYSA-N
XLogP5.28
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.84
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one
CID 11846558
2-chloro-10-(4-morpholin-4-ylbutyl)acridin-9-one
CID 11846559
1-[3-(4-chlorophenoxy)propyl]-4-methylquinolin-2-one
CID 39768018
10-(6-chlorohexyl)acridin-9-one
CID 44566069
1-[3-(4-chlorophenoxy)propyl]-3-methylbenzimidazol-2-one
CID 2237155
3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one
CID 24991794
6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine
CID 115470592
1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione
CID 2124712
1-[2-(4-chlorophenoxy)ethyl]-4-methylquinolin-2-one
CID 39768066
1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one
CID 115576428
10-(3-hydroxypropyl)acridin-9-one
CID 12677142
4-(4-carbazol-9-ylbutoxy)benzoic acid
CID 11631838

Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-(3-phenoxypropyl)acridin-9-one?
The IUPAC name of 2-chloro-10-(3-phenoxypropyl)acridin-9-one (CID 139792441) is 2-chloro-10-(3-phenoxypropyl)acridin-9-one.
What is the SMILES notation for 2-chloro-10-(3-phenoxypropyl)acridin-9-one?
The canonical SMILES for 2-chloro-10-(3-phenoxypropyl)acridin-9-one is O=c1c2ccccc2n(CCCOc2ccccc2)c2ccc(Cl)cc12.
What is the InChIKey of 2-chloro-10-(3-phenoxypropyl)acridin-9-one?
The InChIKey is WGINVEJZLYZHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO2/c23-16-11-12-21-19(15-16)22(25)18-9-4-5-10-20(18)24(21)13-6-14-26-17-7-2-1-3-8-17/h1-5,7-12,15H,6,13-14H2.
What are the key properties of 2-chloro-10-(3-phenoxypropyl)acridin-9-one?
2-chloro-10-(3-phenoxypropyl)acridin-9-one has a molecular weight of 363.84 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-(3-phenoxypropyl)acridin-9-one is sourced from PubChem (CID 139792441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).