1-methoxy-3-[methyl-(4-phenylquinazolin-2-yl)amino]propan-2-ol

C19H21N3O2 — CID 47069006

IUPAC1-methoxy-3-[methyl-(4-phenylquinazolin-2-yl)amino]propan-2-ol
SMILESCOCC(O)CN(C)c1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C19H21N3O2/c1-22(12-15(23)13-24-2)19-20-17-11-7-6-10-16(17)18(21-19)14-8-4-3-5-9-14/h3-11,15,23H,12-13H2,1-2H3
InChIKeyWDHURWBIHSXZFX-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.74
Rot. Bonds6

About 1-methoxy-3-[methyl-(4-phenylquinazolin-2-yl)amino]propan-2-ol

1-methoxy-3-[methyl-(4-phenylquinazolin-2-yl)amino]propan-2-ol (PubChem CID 47069006) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-methoxy-3-[methyl-(4-phenylquinazolin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl-(4-phenylquinazolin-2-yl)amino]propan-2-ol
PubChem CID47069006
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-methoxy-3-[methyl-(4-phenylquinazolin-2-yl)amino]propan-2-ol
SMILESCOCC(O)CN(C)c1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C19H21N3O2/c1-22(12-15(23)13-24-2)19-20-17-11-7-6-10-16(17)18(21-19)14-8-4-3-5-9-14/h3-11,15,23H,12-13H2,1-2H3
InChIKeyWDHURWBIHSXZFX-UHFFFAOYSA-N
XLogP2.74
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl-(4-phenylquinazolin-2-yl)amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl-(4-phenylquinazolin-2-yl)amino]propan-2-ol (CID 47069006) is 1-methoxy-3-[methyl-(4-phenylquinazolin-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl-(4-phenylquinazolin-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl-(4-phenylquinazolin-2-yl)amino]propan-2-ol is COCC(O)CN(C)c1nc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 1-methoxy-3-[methyl-(4-phenylquinazolin-2-yl)amino]propan-2-ol?
The InChIKey is WDHURWBIHSXZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-22(12-15(23)13-24-2)19-20-17-11-7-6-10-16(17)18(21-19)14-8-4-3-5-9-14/h3-11,15,23H,12-13H2,1-2H3.
What are the key properties of 1-methoxy-3-[methyl-(4-phenylquinazolin-2-yl)amino]propan-2-ol?
1-methoxy-3-[methyl-(4-phenylquinazolin-2-yl)amino]propan-2-ol has a molecular weight of 323.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl-(4-phenylquinazolin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 47069006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).