4-(methylamino)-1-phenyl-7-propan-2-ylquinazolin-2-one

C18H19N3O — CID 151489154

IUPAC4-(methylamino)-1-phenyl-7-propan-2-ylquinazolin-2-one
SMILESCNc1nc(=O)n(-c2ccccc2)c2cc(C(C)C)ccc12
InChIInChI=1S/C18H19N3O/c1-12(2)13-9-10-15-16(11-13)21(14-7-5-4-6-8-14)18(22)20-17(15)19-3/h4-12H,1-3H3,(H,19,20,22)
InChIKeyPOCCSOGKVXFMKQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.55
Rot. Bonds3

About 4-(methylamino)-1-phenyl-7-propan-2-ylquinazolin-2-one

4-(methylamino)-1-phenyl-7-propan-2-ylquinazolin-2-one (PubChem CID 151489154) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(methylamino)-1-phenyl-7-propan-2-ylquinazolin-2-one.

Molecular Properties

Compound Name4-(methylamino)-1-phenyl-7-propan-2-ylquinazolin-2-one
PubChem CID151489154
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-(methylamino)-1-phenyl-7-propan-2-ylquinazolin-2-one
SMILESCNc1nc(=O)n(-c2ccccc2)c2cc(C(C)C)ccc12
InChIInChI=1S/C18H19N3O/c1-12(2)13-9-10-15-16(11-13)21(14-7-5-4-6-8-14)18(22)20-17(15)19-3/h4-12H,1-3H3,(H,19,20,22)
InChIKeyPOCCSOGKVXFMKQ-UHFFFAOYSA-N
XLogP3.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-phenyl-7-propan-2-ylquinazolin-2-one?
The IUPAC name of 4-(methylamino)-1-phenyl-7-propan-2-ylquinazolin-2-one (CID 151489154) is 4-(methylamino)-1-phenyl-7-propan-2-ylquinazolin-2-one.
What is the SMILES notation for 4-(methylamino)-1-phenyl-7-propan-2-ylquinazolin-2-one?
The canonical SMILES for 4-(methylamino)-1-phenyl-7-propan-2-ylquinazolin-2-one is CNc1nc(=O)n(-c2ccccc2)c2cc(C(C)C)ccc12.
What is the InChIKey of 4-(methylamino)-1-phenyl-7-propan-2-ylquinazolin-2-one?
The InChIKey is POCCSOGKVXFMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12(2)13-9-10-15-16(11-13)21(14-7-5-4-6-8-14)18(22)20-17(15)19-3/h4-12H,1-3H3,(H,19,20,22).
What are the key properties of 4-(methylamino)-1-phenyl-7-propan-2-ylquinazolin-2-one?
4-(methylamino)-1-phenyl-7-propan-2-ylquinazolin-2-one has a molecular weight of 293.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-phenyl-7-propan-2-ylquinazolin-2-one is sourced from PubChem (CID 151489154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).