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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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).