9-amino-7-chloro-3-(4-methoxyphenyl)-3,4-dihydro-2H-acridin-1-one

C20H17ClN2O2 — CID 167530820

IUPAC9-amino-7-chloro-3-(4-methoxyphenyl)-3,4-dihydro-2H-acridin-1-one
SMILESCOc1ccc(C2CC(=O)c3c(nc4ccc(Cl)cc4c3N)C2)cc1
InChIInChI=1S/C20H17ClN2O2/c1-25-14-5-2-11(3-6-14)12-8-17-19(18(24)9-12)20(22)15-10-13(21)4-7-16(15)23-17/h2-7,10,12H,8-9H2,1H3,(H2,22,23)
InChIKeyKSUVTLOESTUQTL-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.39
Rot. Bonds2

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

9-amino-7-chloro-3-(4-methoxyphenyl)-3,4-dihydro-2H-acridin-1-one (PubChem CID 167530820) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 9-amino-7-chloro-3-(4-methoxyphenyl)-3,4-dihydro-2H-acridin-1-one.

Molecular Properties

Compound Name9-amino-7-chloro-3-(4-methoxyphenyl)-3,4-dihydro-2H-acridin-1-one
PubChem CID167530820
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name9-amino-7-chloro-3-(4-methoxyphenyl)-3,4-dihydro-2H-acridin-1-one
SMILESCOc1ccc(C2CC(=O)c3c(nc4ccc(Cl)cc4c3N)C2)cc1
InChIInChI=1S/C20H17ClN2O2/c1-25-14-5-2-11(3-6-14)12-8-17-19(18(24)9-12)20(22)15-10-13(21)4-7-16(15)23-17/h2-7,10,12H,8-9H2,1H3,(H2,22,23)
InChIKeyKSUVTLOESTUQTL-UHFFFAOYSA-N
XLogP4.39
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-amino-7-methoxy-3,4-dihydro-2H-acridin-1-one
CID 15043979
2-amino-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 11948703
(7R)-7-(4-methoxyphenyl)-4-methyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
CID 29101593
(6S)-1-(4-chlorophenyl)-6-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 41455676
9-amino-6-(4-methylphenyl)-6,7-dihydro-5H-thieno[3,2-b]quinolin-8-one
CID 44614084
2-(4-methoxyanilino)-7-(4-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 16583996
2-amino-4-[(3-methoxyphenyl)methyl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 69456140
7-chloro-9-methyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one
CID 44561039
2-[(2,5-dichlorophenyl)iminomethyl]-3-hydroxy-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 135447551
2-chloro-9-(4-chlorophenyl)-6-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 3978384
2-(5-chloro-2-methoxyphenyl)-3-ethyl-6-phenyl-6,7-dihydro-5H-indazol-4-one
CID 5214182
2-amino-4-(methoxymethyl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 69451972

Frequently Asked Questions

What is the IUPAC name of 9-amino-7-chloro-3-(4-methoxyphenyl)-3,4-dihydro-2H-acridin-1-one?
The IUPAC name of 9-amino-7-chloro-3-(4-methoxyphenyl)-3,4-dihydro-2H-acridin-1-one (CID 167530820) is 9-amino-7-chloro-3-(4-methoxyphenyl)-3,4-dihydro-2H-acridin-1-one.
What is the SMILES notation for 9-amino-7-chloro-3-(4-methoxyphenyl)-3,4-dihydro-2H-acridin-1-one?
The canonical SMILES for 9-amino-7-chloro-3-(4-methoxyphenyl)-3,4-dihydro-2H-acridin-1-one is COc1ccc(C2CC(=O)c3c(nc4ccc(Cl)cc4c3N)C2)cc1.
What is the InChIKey of 9-amino-7-chloro-3-(4-methoxyphenyl)-3,4-dihydro-2H-acridin-1-one?
The InChIKey is KSUVTLOESTUQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-25-14-5-2-11(3-6-14)12-8-17-19(18(24)9-12)20(22)15-10-13(21)4-7-16(15)23-17/h2-7,10,12H,8-9H2,1H3,(H2,22,23).
What are the key properties of 9-amino-7-chloro-3-(4-methoxyphenyl)-3,4-dihydro-2H-acridin-1-one?
9-amino-7-chloro-3-(4-methoxyphenyl)-3,4-dihydro-2H-acridin-1-one has a molecular weight of 352.82 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-7-chloro-3-(4-methoxyphenyl)-3,4-dihydro-2H-acridin-1-one is sourced from PubChem (CID 167530820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).