2-[4-(dimethylamino)phenyl]-3-phenyl-1,2-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one

C23H21N5O — CID 11783927

IUPAC2-[4-(dimethylamino)phenyl]-3-phenyl-1,2-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one
SMILESCN(C)c1ccc(C2Nn3c(nc4ccccc4c3=O)N2c2ccccc2)cc1
InChIInChI=1S/C23H21N5O/c1-26(2)17-14-12-16(13-15-17)21-25-28-22(29)19-10-6-7-11-20(19)24-23(28)27(21)18-8-4-3-5-9-18/h3-15,21,25H,1-2H3
InChIKeyOGDAXJAIPDUUPR-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.86
Rot. Bonds3

About 2-[4-(dimethylamino)phenyl]-3-phenyl-1,2-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one

2-[4-(dimethylamino)phenyl]-3-phenyl-1,2-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one (PubChem CID 11783927) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-3-phenyl-1,2-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-3-phenyl-1,2-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one
PubChem CID11783927
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name2-[4-(dimethylamino)phenyl]-3-phenyl-1,2-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one
SMILESCN(C)c1ccc(C2Nn3c(nc4ccccc4c3=O)N2c2ccccc2)cc1
InChIInChI=1S/C23H21N5O/c1-26(2)17-14-12-16(13-15-17)21-25-28-22(29)19-10-6-7-11-20(19)24-23(28)27(21)18-8-4-3-5-9-18/h3-15,21,25H,1-2H3
InChIKeyOGDAXJAIPDUUPR-UHFFFAOYSA-N
XLogP3.86
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-3-phenyl-1,2-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-3-phenyl-1,2-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one (CID 11783927) is 2-[4-(dimethylamino)phenyl]-3-phenyl-1,2-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-3-phenyl-1,2-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-3-phenyl-1,2-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one is CN(C)c1ccc(C2Nn3c(nc4ccccc4c3=O)N2c2ccccc2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-3-phenyl-1,2-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one?
The InChIKey is OGDAXJAIPDUUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-26(2)17-14-12-16(13-15-17)21-25-28-22(29)19-10-6-7-11-20(19)24-23(28)27(21)18-8-4-3-5-9-18/h3-15,21,25H,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-3-phenyl-1,2-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one?
2-[4-(dimethylamino)phenyl]-3-phenyl-1,2-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one has a molecular weight of 383.46 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-3-phenyl-1,2-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one is sourced from PubChem (CID 11783927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).