1-amino-4-methyl-10,10a-dihydro-1H-acridin-2-one

C14H14N2O — CID 21448142

IUPAC1-amino-4-methyl-10,10a-dihydro-1H-acridin-2-one
SMILESCC1=CC(=O)C(N)C2=C1NC1C=CC=CC1=C2
InChIInChI=1S/C14H14N2O/c1-8-6-12(17)13(15)10-7-9-4-2-3-5-11(9)16-14(8)10/h2-7,11,13,16H,15H2,1H3
InChIKeyAVXBILAZOLJPHU-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.12
Rot. Bonds

About 1-amino-4-methyl-10,10a-dihydro-1H-acridin-2-one

1-amino-4-methyl-10,10a-dihydro-1H-acridin-2-one (PubChem CID 21448142) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-amino-4-methyl-10,10a-dihydro-1H-acridin-2-one.

Molecular Properties

Compound Name1-amino-4-methyl-10,10a-dihydro-1H-acridin-2-one
PubChem CID21448142
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-amino-4-methyl-10,10a-dihydro-1H-acridin-2-one
SMILESCC1=CC(=O)C(N)C2=C1NC1C=CC=CC1=C2
InChIInChI=1S/C14H14N2O/c1-8-6-12(17)13(15)10-7-9-4-2-3-5-11(9)16-14(8)10/h2-7,11,13,16H,15H2,1H3
InChIKeyAVXBILAZOLJPHU-UHFFFAOYSA-N
XLogP1.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-methyl-10,10a-dihydro-1H-acridin-2-one?
The IUPAC name of 1-amino-4-methyl-10,10a-dihydro-1H-acridin-2-one (CID 21448142) is 1-amino-4-methyl-10,10a-dihydro-1H-acridin-2-one.
What is the SMILES notation for 1-amino-4-methyl-10,10a-dihydro-1H-acridin-2-one?
The canonical SMILES for 1-amino-4-methyl-10,10a-dihydro-1H-acridin-2-one is CC1=CC(=O)C(N)C2=C1NC1C=CC=CC1=C2.
What is the InChIKey of 1-amino-4-methyl-10,10a-dihydro-1H-acridin-2-one?
The InChIKey is AVXBILAZOLJPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-8-6-12(17)13(15)10-7-9-4-2-3-5-11(9)16-14(8)10/h2-7,11,13,16H,15H2,1H3.
What are the key properties of 1-amino-4-methyl-10,10a-dihydro-1H-acridin-2-one?
1-amino-4-methyl-10,10a-dihydro-1H-acridin-2-one has a molecular weight of 226.28 g/mol, XLogP of 1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-methyl-10,10a-dihydro-1H-acridin-2-one is sourced from PubChem (CID 21448142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).