1-[methyl-(2-phenylquinazolin-4-yl)amino]propan-2-ol

C18H19N3O — CID 133274770

IUPAC1-[methyl-(2-phenylquinazolin-4-yl)amino]propan-2-ol
SMILESCC(O)CN(C)c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C18H19N3O/c1-13(22)12-21(2)18-15-10-6-7-11-16(15)19-17(20-18)14-8-4-3-5-9-14/h3-11,13,22H,12H2,1-2H3
InChIKeyJJPSQBJYHQEIEQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.11
Rot. Bonds4

About 1-[methyl-(2-phenylquinazolin-4-yl)amino]propan-2-ol

1-[methyl-(2-phenylquinazolin-4-yl)amino]propan-2-ol (PubChem CID 133274770) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[methyl-(2-phenylquinazolin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-(2-phenylquinazolin-4-yl)amino]propan-2-ol
PubChem CID133274770
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-[methyl-(2-phenylquinazolin-4-yl)amino]propan-2-ol
SMILESCC(O)CN(C)c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C18H19N3O/c1-13(22)12-21(2)18-15-10-6-7-11-16(15)19-17(20-18)14-8-4-3-5-9-14/h3-11,13,22H,12H2,1-2H3
InChIKeyJJPSQBJYHQEIEQ-UHFFFAOYSA-N
XLogP3.11
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(2-phenylquinazolin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-[methyl-(2-phenylquinazolin-4-yl)amino]propan-2-ol (CID 133274770) is 1-[methyl-(2-phenylquinazolin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-(2-phenylquinazolin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-[methyl-(2-phenylquinazolin-4-yl)amino]propan-2-ol is CC(O)CN(C)c1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 1-[methyl-(2-phenylquinazolin-4-yl)amino]propan-2-ol?
The InChIKey is JJPSQBJYHQEIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13(22)12-21(2)18-15-10-6-7-11-16(15)19-17(20-18)14-8-4-3-5-9-14/h3-11,13,22H,12H2,1-2H3.
What are the key properties of 1-[methyl-(2-phenylquinazolin-4-yl)amino]propan-2-ol?
1-[methyl-(2-phenylquinazolin-4-yl)amino]propan-2-ol has a molecular weight of 293.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(2-phenylquinazolin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 133274770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).