2,6,7-trimethyl-3-[4-(methylamino)phenyl]quinazolin-4-one

C18H19N3O — CID 171649499

IUPAC2,6,7-trimethyl-3-[4-(methylamino)phenyl]quinazolin-4-one
SMILESCNc1ccc(-n2c(C)nc3cc(C)c(C)cc3c2=O)cc1
InChIInChI=1S/C18H19N3O/c1-11-9-16-17(10-12(11)2)20-13(3)21(18(16)22)15-7-5-14(19-4)6-8-15/h5-10,19H,1-4H3
InChIKeyWZXVOQUXZWIYFX-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.35
Rot. Bonds2

About 2,6,7-trimethyl-3-[4-(methylamino)phenyl]quinazolin-4-one

2,6,7-trimethyl-3-[4-(methylamino)phenyl]quinazolin-4-one (PubChem CID 171649499) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2,6,7-trimethyl-3-[4-(methylamino)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name2,6,7-trimethyl-3-[4-(methylamino)phenyl]quinazolin-4-one
PubChem CID171649499
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2,6,7-trimethyl-3-[4-(methylamino)phenyl]quinazolin-4-one
SMILESCNc1ccc(-n2c(C)nc3cc(C)c(C)cc3c2=O)cc1
InChIInChI=1S/C18H19N3O/c1-11-9-16-17(10-12(11)2)20-13(3)21(18(16)22)15-7-5-14(19-4)6-8-15/h5-10,19H,1-4H3
InChIKeyWZXVOQUXZWIYFX-UHFFFAOYSA-N
XLogP3.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6,7-trimethyl-3-[4-(methylamino)phenyl]quinazolin-4-one?
The IUPAC name of 2,6,7-trimethyl-3-[4-(methylamino)phenyl]quinazolin-4-one (CID 171649499) is 2,6,7-trimethyl-3-[4-(methylamino)phenyl]quinazolin-4-one.
What is the SMILES notation for 2,6,7-trimethyl-3-[4-(methylamino)phenyl]quinazolin-4-one?
The canonical SMILES for 2,6,7-trimethyl-3-[4-(methylamino)phenyl]quinazolin-4-one is CNc1ccc(-n2c(C)nc3cc(C)c(C)cc3c2=O)cc1.
What is the InChIKey of 2,6,7-trimethyl-3-[4-(methylamino)phenyl]quinazolin-4-one?
The InChIKey is WZXVOQUXZWIYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-11-9-16-17(10-12(11)2)20-13(3)21(18(16)22)15-7-5-14(19-4)6-8-15/h5-10,19H,1-4H3.
What are the key properties of 2,6,7-trimethyl-3-[4-(methylamino)phenyl]quinazolin-4-one?
2,6,7-trimethyl-3-[4-(methylamino)phenyl]quinazolin-4-one has a molecular weight of 293.37 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trimethyl-3-[4-(methylamino)phenyl]quinazolin-4-one is sourced from PubChem (CID 171649499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).