7-chloro-9-methyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one

C15H11ClF3NO — CID 44561039

IUPAC7-chloro-9-methyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one
SMILESCc1c2c(nc3ccc(Cl)cc13)CC(C(F)(F)F)CC2=O
InChIInChI=1S/C15H11ClF3NO/c1-7-10-6-9(16)2-3-11(10)20-12-4-8(15(17,18)19)5-13(21)14(7)12/h2-3,6,8H,4-5H2,1H3
InChIKeyDLXOXRQUGXEDEN-UHFFFAOYSA-N
MW313.71 g/mol
LogP4.50
Rot. Bonds

About 7-chloro-9-methyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one

7-chloro-9-methyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one (PubChem CID 44561039) has the molecular formula C15H11ClF3NO and a molecular weight of 313.71 g/mol. Its IUPAC name is 7-chloro-9-methyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one.

Molecular Properties

Compound Name7-chloro-9-methyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one
PubChem CID44561039
Molecular FormulaC15H11ClF3NO
Molecular Weight313.71 g/mol
Exact Mass313.05
IUPAC Name7-chloro-9-methyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one
SMILESCc1c2c(nc3ccc(Cl)cc13)CC(C(F)(F)F)CC2=O
InChIInChI=1S/C15H11ClF3NO/c1-7-10-6-9(16)2-3-11(10)20-12-4-8(15(17,18)19)5-13(21)14(7)12/h2-3,6,8H,4-5H2,1H3
InChIKeyDLXOXRQUGXEDEN-UHFFFAOYSA-N
XLogP4.50
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-amino-7-chloro-3-(4-methoxyphenyl)-3,4-dihydro-2H-acridin-1-one
CID 167530820
2-chloro-9-methyl-6-(trifluoromethyl)acridine
CID 146170270
19-chloro-5-methyl-8,13,15-triazahexacyclo[10.9.2.02,7.09,22.015,23.016,21]tricosa-1,7,9(22),10,12(23),13,16(21),17,19-nonaen-3-one
CID 122212018
(3S)-5,7-dibromo-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one
CID 139081726
4-chloro-9,11-dimethyl-15-oxa-8,12-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaen-16-one
CID 11833456
6-chloro-N-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 64981065
2,3-ditert-butyl-6-chloroquinazolin-4-one
CID 90250802
3,6-dichloro-2-methylquinolin-4-amine
CID 121236621
7-chloro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 62202376
4-chloro-11-(2,4-dichlorophenyl)-15-oxa-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,13-hexaene
CID 594467
6-chloro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 63462975
2-tert-butyl-6-chloro-4-methylquinazoline
CID 58810669

Frequently Asked Questions

What is the IUPAC name of 7-chloro-9-methyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one?
The IUPAC name of 7-chloro-9-methyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one (CID 44561039) is 7-chloro-9-methyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one.
What is the SMILES notation for 7-chloro-9-methyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one?
The canonical SMILES for 7-chloro-9-methyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one is Cc1c2c(nc3ccc(Cl)cc13)CC(C(F)(F)F)CC2=O.
What is the InChIKey of 7-chloro-9-methyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one?
The InChIKey is DLXOXRQUGXEDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO/c1-7-10-6-9(16)2-3-11(10)20-12-4-8(15(17,18)19)5-13(21)14(7)12/h2-3,6,8H,4-5H2,1H3.
What are the key properties of 7-chloro-9-methyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one?
7-chloro-9-methyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one has a molecular weight of 313.71 g/mol, XLogP of 4.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-9-methyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one is sourced from PubChem (CID 44561039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).