3-(3,4-dichlorophenyl)-3,4-dihydro-2H-acridin-1-one

C19H13Cl2NO — CID 598071

IUPAC3-(3,4-dichlorophenyl)-3,4-dihydro-2H-acridin-1-one
SMILESO=C1CC(c2ccc(Cl)c(Cl)c2)Cc2nc3ccccc3cc21
InChIInChI=1S/C19H13Cl2NO/c20-15-6-5-11(8-16(15)21)13-9-18-14(19(23)10-13)7-12-3-1-2-4-17(12)22-18/h1-8,13H,9-10H2
InChIKeyLYPPMRQDYHYSEI-UHFFFAOYSA-N
MW342.23 g/mol
LogP5.45
Rot. Bonds1

About 3-(3,4-dichlorophenyl)-3,4-dihydro-2H-acridin-1-one

3-(3,4-dichlorophenyl)-3,4-dihydro-2H-acridin-1-one (PubChem CID 598071) has the molecular formula C19H13Cl2NO and a molecular weight of 342.23 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-3,4-dihydro-2H-acridin-1-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-3,4-dihydro-2H-acridin-1-one
PubChem CID598071
Molecular FormulaC19H13Cl2NO
Molecular Weight342.23 g/mol
Exact Mass341.04
IUPAC Name3-(3,4-dichlorophenyl)-3,4-dihydro-2H-acridin-1-one
SMILESO=C1CC(c2ccc(Cl)c(Cl)c2)Cc2nc3ccccc3cc21
InChIInChI=1S/C19H13Cl2NO/c20-15-6-5-11(8-16(15)21)13-9-18-14(19(23)10-13)7-12-3-1-2-4-17(12)22-18/h1-8,13H,9-10H2
InChIKeyLYPPMRQDYHYSEI-UHFFFAOYSA-N
XLogP5.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.23
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-dichlorophenyl)cyclohexane-1,3-dione
CID 599126
3,4-dihydro-2H-acridin-1-one;dihydrochloride
CID 142633980
(7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 738767
3-(3-nitrophenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one
CID 102134787
4-(4-chlorophenyl)-7-(3,4-dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17063815
2-chloro-N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 3887888
7-(4-chlorophenyl)-2-[(4-phenylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
CID 3344088
(9R,12R)-12-(3,4-dichlorophenyl)-9-(4-methoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
CID 7084292
3,4-dihydro-2H-pyridazino[4,5-b]quinolin-1-one
CID 140981878
(7R)-7-(3-chlorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one
CID 7174856
N-[(7R)-7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]cyclopropanecarboxamide
CID 7354491
(7S)-7-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 2003040

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-3,4-dihydro-2H-acridin-1-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-3,4-dihydro-2H-acridin-1-one (CID 598071) is 3-(3,4-dichlorophenyl)-3,4-dihydro-2H-acridin-1-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-3,4-dihydro-2H-acridin-1-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-3,4-dihydro-2H-acridin-1-one is O=C1CC(c2ccc(Cl)c(Cl)c2)Cc2nc3ccccc3cc21.
What is the InChIKey of 3-(3,4-dichlorophenyl)-3,4-dihydro-2H-acridin-1-one?
The InChIKey is LYPPMRQDYHYSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO/c20-15-6-5-11(8-16(15)21)13-9-18-14(19(23)10-13)7-12-3-1-2-4-17(12)22-18/h1-8,13H,9-10H2.
What are the key properties of 3-(3,4-dichlorophenyl)-3,4-dihydro-2H-acridin-1-one?
3-(3,4-dichlorophenyl)-3,4-dihydro-2H-acridin-1-one has a molecular weight of 342.23 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-3,4-dihydro-2H-acridin-1-one is sourced from PubChem (CID 598071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).