6-[2-(dimethylamino)ethyl-methylamino]-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one

C20H21F3N4O — CID 139668197

IUPAC6-[2-(dimethylamino)ethyl-methylamino]-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one
SMILESCN(C)CCN(C)c1ccc2ncn(-c3ccc(C(F)(F)F)cc3)c(=O)c2c1
InChIInChI=1S/C20H21F3N4O/c1-25(2)10-11-26(3)16-8-9-18-17(12-16)19(28)27(13-24-18)15-6-4-14(5-7-15)20(21,22)23/h4-9,12-13H,10-11H2,1-3H3
InChIKeyNIIUJVGTDMXWBE-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.40
Rot. Bonds5

About 6-[2-(dimethylamino)ethyl-methylamino]-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one

6-[2-(dimethylamino)ethyl-methylamino]-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one (PubChem CID 139668197) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl-methylamino]-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl-methylamino]-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one
PubChem CID139668197
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC Name6-[2-(dimethylamino)ethyl-methylamino]-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one
SMILESCN(C)CCN(C)c1ccc2ncn(-c3ccc(C(F)(F)F)cc3)c(=O)c2c1
InChIInChI=1S/C20H21F3N4O/c1-25(2)10-11-26(3)16-8-9-18-17(12-16)19(28)27(13-24-18)15-6-4-14(5-7-15)20(21,22)23/h4-9,12-13H,10-11H2,1-3H3
InChIKeyNIIUJVGTDMXWBE-UHFFFAOYSA-N
XLogP3.40
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl-methylamino]-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one?
The IUPAC name of 6-[2-(dimethylamino)ethyl-methylamino]-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one (CID 139668197) is 6-[2-(dimethylamino)ethyl-methylamino]-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl-methylamino]-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one?
The canonical SMILES for 6-[2-(dimethylamino)ethyl-methylamino]-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one is CN(C)CCN(C)c1ccc2ncn(-c3ccc(C(F)(F)F)cc3)c(=O)c2c1.
What is the InChIKey of 6-[2-(dimethylamino)ethyl-methylamino]-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one?
The InChIKey is NIIUJVGTDMXWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O/c1-25(2)10-11-26(3)16-8-9-18-17(12-16)19(28)27(13-24-18)15-6-4-14(5-7-15)20(21,22)23/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of 6-[2-(dimethylamino)ethyl-methylamino]-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one?
6-[2-(dimethylamino)ethyl-methylamino]-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one has a molecular weight of 390.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl-methylamino]-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one is sourced from PubChem (CID 139668197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).