2-[4-(dimethylamino)phenyl]-6,7-dimethylchromen-4-one

C19H19NO2 — CID 56945193

IUPAC2-[4-(dimethylamino)phenyl]-6,7-dimethylchromen-4-one
SMILESCc1cc2oc(-c3ccc(N(C)C)cc3)cc(=O)c2cc1C
InChIInChI=1S/C19H19NO2/c1-12-9-16-17(21)11-18(22-19(16)10-13(12)2)14-5-7-15(8-6-14)20(3)4/h5-11H,1-4H3
InChIKeyAOIJDEBCYGAOID-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.14
Rot. Bonds2

About 2-[4-(dimethylamino)phenyl]-6,7-dimethylchromen-4-one

2-[4-(dimethylamino)phenyl]-6,7-dimethylchromen-4-one (PubChem CID 56945193) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-6,7-dimethylchromen-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-6,7-dimethylchromen-4-one
PubChem CID56945193
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2-[4-(dimethylamino)phenyl]-6,7-dimethylchromen-4-one
SMILESCc1cc2oc(-c3ccc(N(C)C)cc3)cc(=O)c2cc1C
InChIInChI=1S/C19H19NO2/c1-12-9-16-17(21)11-18(22-19(16)10-13(12)2)14-5-7-15(8-6-14)20(3)4/h5-11H,1-4H3
InChIKeyAOIJDEBCYGAOID-UHFFFAOYSA-N
XLogP4.14
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(Dimethylamino)phenyl]-4h-Chromen-4-One
CID 1241435
6-Iodo-4'-dimethyaminoflavone
CID 11574659
6-Iodo-4'-methylaminoflavone
CID 11632242
3-methoxy-N-(4-methylphenyl)-2-naphthamide
CID 790572
2-(4-Amino-phenyl)-benzo[h]chromen-4-one
CID 11471732
(E)-3-(4-(Dimethylamino)benzylidene)chroman-4-one
CID 6524131
2-[4-(Dimethylamino)phenyl]-3-hydroxybenzo[h]chromen-4-one
CID 2988186
Mdl 27048
CID 6439188
(E)-1-(2,5-dimethoxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 7947839
2-(4-Pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one
CID 56945190
2-[4-(Dimethylamino)phenyl]-3-hydroxy-6,7-dimethylchromen-4-one
CID 56945192
2-[4-(Dimethylamino)phenyl]benzo[h]chromen-4-one
CID 56945194

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-6,7-dimethylchromen-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-6,7-dimethylchromen-4-one (CID 56945193) is 2-[4-(dimethylamino)phenyl]-6,7-dimethylchromen-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-6,7-dimethylchromen-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-6,7-dimethylchromen-4-one is Cc1cc2oc(-c3ccc(N(C)C)cc3)cc(=O)c2cc1C.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-6,7-dimethylchromen-4-one?
The InChIKey is AOIJDEBCYGAOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-12-9-16-17(21)11-18(22-19(16)10-13(12)2)14-5-7-15(8-6-14)20(3)4/h5-11H,1-4H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-6,7-dimethylchromen-4-one?
2-[4-(dimethylamino)phenyl]-6,7-dimethylchromen-4-one has a molecular weight of 293.37 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-6,7-dimethylchromen-4-one is sourced from PubChem (CID 56945193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).