6-amino-5-methyl-3-[(4-methyl-5-oxocyclohexa-1,3-dien-1-yl)amino]cyclohexa-2,4-dien-1-one

C14H16N2O2 — CID 70514790

IUPAC6-amino-5-methyl-3-[(4-methyl-5-oxocyclohexa-1,3-dien-1-yl)amino]cyclohexa-2,4-dien-1-one
SMILESCC1=CC=C(NC2=CC(=O)C(N)C(C)=C2)CC1=O
InChIInChI=1S/C14H16N2O2/c1-8-3-4-10(6-12(8)17)16-11-5-9(2)14(15)13(18)7-11/h3-5,7,14,16H,6,15H2,1-2H3
InChIKeyIZMQNWUYONUHOG-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.12
Rot. Bonds2

About 6-amino-5-methyl-3-[(4-methyl-5-oxocyclohexa-1,3-dien-1-yl)amino]cyclohexa-2,4-dien-1-one

6-amino-5-methyl-3-[(4-methyl-5-oxocyclohexa-1,3-dien-1-yl)amino]cyclohexa-2,4-dien-1-one (PubChem CID 70514790) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 6-amino-5-methyl-3-[(4-methyl-5-oxocyclohexa-1,3-dien-1-yl)amino]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-amino-5-methyl-3-[(4-methyl-5-oxocyclohexa-1,3-dien-1-yl)amino]cyclohexa-2,4-dien-1-one
PubChem CID70514790
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name6-amino-5-methyl-3-[(4-methyl-5-oxocyclohexa-1,3-dien-1-yl)amino]cyclohexa-2,4-dien-1-one
SMILESCC1=CC=C(NC2=CC(=O)C(N)C(C)=C2)CC1=O
InChIInChI=1S/C14H16N2O2/c1-8-3-4-10(6-12(8)17)16-11-5-9(2)14(15)13(18)7-11/h3-5,7,14,16H,6,15H2,1-2H3
InChIKeyIZMQNWUYONUHOG-UHFFFAOYSA-N
XLogP1.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-methyl-3-[(4-methyl-5-oxocyclohexa-1,3-dien-1-yl)amino]cyclohexa-2,4-dien-1-one?
The IUPAC name of 6-amino-5-methyl-3-[(4-methyl-5-oxocyclohexa-1,3-dien-1-yl)amino]cyclohexa-2,4-dien-1-one (CID 70514790) is 6-amino-5-methyl-3-[(4-methyl-5-oxocyclohexa-1,3-dien-1-yl)amino]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-amino-5-methyl-3-[(4-methyl-5-oxocyclohexa-1,3-dien-1-yl)amino]cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-amino-5-methyl-3-[(4-methyl-5-oxocyclohexa-1,3-dien-1-yl)amino]cyclohexa-2,4-dien-1-one is CC1=CC=C(NC2=CC(=O)C(N)C(C)=C2)CC1=O.
What is the InChIKey of 6-amino-5-methyl-3-[(4-methyl-5-oxocyclohexa-1,3-dien-1-yl)amino]cyclohexa-2,4-dien-1-one?
The InChIKey is IZMQNWUYONUHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8-3-4-10(6-12(8)17)16-11-5-9(2)14(15)13(18)7-11/h3-5,7,14,16H,6,15H2,1-2H3.
What are the key properties of 6-amino-5-methyl-3-[(4-methyl-5-oxocyclohexa-1,3-dien-1-yl)amino]cyclohexa-2,4-dien-1-one?
6-amino-5-methyl-3-[(4-methyl-5-oxocyclohexa-1,3-dien-1-yl)amino]cyclohexa-2,4-dien-1-one has a molecular weight of 244.29 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-methyl-3-[(4-methyl-5-oxocyclohexa-1,3-dien-1-yl)amino]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 70514790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).