1-[(6,7-dimethoxy-2-phenylquinazolin-4-yl)amino]propan-2-ol

C19H21N3O3 — CID 84977192

IUPAC1-[(6,7-dimethoxy-2-phenylquinazolin-4-yl)amino]propan-2-ol
SMILESCOc1cc2nc(-c3ccccc3)nc(NCC(C)O)c2cc1OC
InChIInChI=1S/C19H21N3O3/c1-12(23)11-20-19-14-9-16(24-2)17(25-3)10-15(14)21-18(22-19)13-7-5-4-6-8-13/h4-10,12,23H,11H2,1-3H3,(H,20,21,22)
InChIKeyXEDKGQPAEQODGM-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.11
Rot. Bonds6

About 1-[(6,7-dimethoxy-2-phenylquinazolin-4-yl)amino]propan-2-ol

1-[(6,7-dimethoxy-2-phenylquinazolin-4-yl)amino]propan-2-ol (PubChem CID 84977192) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[(6,7-dimethoxy-2-phenylquinazolin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(6,7-dimethoxy-2-phenylquinazolin-4-yl)amino]propan-2-ol
PubChem CID84977192
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1-[(6,7-dimethoxy-2-phenylquinazolin-4-yl)amino]propan-2-ol
SMILESCOc1cc2nc(-c3ccccc3)nc(NCC(C)O)c2cc1OC
InChIInChI=1S/C19H21N3O3/c1-12(23)11-20-19-14-9-16(24-2)17(25-3)10-15(14)21-18(22-19)13-7-5-4-6-8-13/h4-10,12,23H,11H2,1-3H3,(H,20,21,22)
InChIKeyXEDKGQPAEQODGM-UHFFFAOYSA-N
XLogP3.11
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(6,7-dimethoxy-2-phenylquinazolin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-[(6,7-dimethoxy-2-phenylquinazolin-4-yl)amino]propan-2-ol (CID 84977192) is 1-[(6,7-dimethoxy-2-phenylquinazolin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(6,7-dimethoxy-2-phenylquinazolin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(6,7-dimethoxy-2-phenylquinazolin-4-yl)amino]propan-2-ol is COc1cc2nc(-c3ccccc3)nc(NCC(C)O)c2cc1OC.
What is the InChIKey of 1-[(6,7-dimethoxy-2-phenylquinazolin-4-yl)amino]propan-2-ol?
The InChIKey is XEDKGQPAEQODGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12(23)11-20-19-14-9-16(24-2)17(25-3)10-15(14)21-18(22-19)13-7-5-4-6-8-13/h4-10,12,23H,11H2,1-3H3,(H,20,21,22).
What are the key properties of 1-[(6,7-dimethoxy-2-phenylquinazolin-4-yl)amino]propan-2-ol?
1-[(6,7-dimethoxy-2-phenylquinazolin-4-yl)amino]propan-2-ol has a molecular weight of 339.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6,7-dimethoxy-2-phenylquinazolin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 84977192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).