10-[4-(dimethylamino)phenyl]iminoanthracen-9-one

C22H18N2O — CID 134937418

IUPAC10-[4-(dimethylamino)phenyl]iminoanthracen-9-one
SMILESCN(C)c1ccc(N=C2c3ccccc3C(=O)c3ccccc32)cc1
InChIInChI=1S/C22H18N2O/c1-24(2)16-13-11-15(12-14-16)23-21-17-7-3-5-9-19(17)22(25)20-10-6-4-8-18(20)21/h3-14H,1-2H3
InChIKeyGVYUUPYSQJHMCJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.47
Rot. Bonds2

About 10-[4-(dimethylamino)phenyl]iminoanthracen-9-one

10-[4-(dimethylamino)phenyl]iminoanthracen-9-one (PubChem CID 134937418) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 10-[4-(dimethylamino)phenyl]iminoanthracen-9-one.

Molecular Properties

Compound Name10-[4-(dimethylamino)phenyl]iminoanthracen-9-one
PubChem CID134937418
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name10-[4-(dimethylamino)phenyl]iminoanthracen-9-one
SMILESCN(C)c1ccc(N=C2c3ccccc3C(=O)c3ccccc32)cc1
InChIInChI=1S/C22H18N2O/c1-24(2)16-13-11-15(12-14-16)23-21-17-7-3-5-9-19(17)22(25)20-10-6-4-8-18(20)21/h3-14H,1-2H3
InChIKeyGVYUUPYSQJHMCJ-UHFFFAOYSA-N
XLogP4.47
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[4-(dimethylamino)phenyl]iminoanthracen-9-one?
The IUPAC name of 10-[4-(dimethylamino)phenyl]iminoanthracen-9-one (CID 134937418) is 10-[4-(dimethylamino)phenyl]iminoanthracen-9-one.
What is the SMILES notation for 10-[4-(dimethylamino)phenyl]iminoanthracen-9-one?
The canonical SMILES for 10-[4-(dimethylamino)phenyl]iminoanthracen-9-one is CN(C)c1ccc(N=C2c3ccccc3C(=O)c3ccccc32)cc1.
What is the InChIKey of 10-[4-(dimethylamino)phenyl]iminoanthracen-9-one?
The InChIKey is GVYUUPYSQJHMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-24(2)16-13-11-15(12-14-16)23-21-17-7-3-5-9-19(17)22(25)20-10-6-4-8-18(20)21/h3-14H,1-2H3.
What are the key properties of 10-[4-(dimethylamino)phenyl]iminoanthracen-9-one?
10-[4-(dimethylamino)phenyl]iminoanthracen-9-one has a molecular weight of 326.40 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(dimethylamino)phenyl]iminoanthracen-9-one is sourced from PubChem (CID 134937418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).