1-imidazol-1-yl-3-quinazolin-4-yloxypropan-2-ol

C14H14N4O2 — CID 118796637

IUPAC1-imidazol-1-yl-3-quinazolin-4-yloxypropan-2-ol
SMILESOC(COc1ncnc2ccccc12)Cn1ccnc1
InChIInChI=1S/C14H14N4O2/c19-11(7-18-6-5-15-10-18)8-20-14-12-3-1-2-4-13(12)16-9-17-14/h1-6,9-11,19H,7-8H2
InChIKeyKTWJKWUVFXXMTI-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.27
Rot. Bonds5

About 1-imidazol-1-yl-3-quinazolin-4-yloxypropan-2-ol

1-imidazol-1-yl-3-quinazolin-4-yloxypropan-2-ol (PubChem CID 118796637) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-imidazol-1-yl-3-quinazolin-4-yloxypropan-2-ol.

Molecular Properties

Compound Name1-imidazol-1-yl-3-quinazolin-4-yloxypropan-2-ol
PubChem CID118796637
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name1-imidazol-1-yl-3-quinazolin-4-yloxypropan-2-ol
SMILESOC(COc1ncnc2ccccc12)Cn1ccnc1
InChIInChI=1S/C14H14N4O2/c19-11(7-18-6-5-15-10-18)8-20-14-12-3-1-2-4-13(12)16-9-17-14/h1-6,9-11,19H,7-8H2
InChIKeyKTWJKWUVFXXMTI-UHFFFAOYSA-N
XLogP1.27
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-3-quinazolin-4-yloxypropan-2-ol?
The IUPAC name of 1-imidazol-1-yl-3-quinazolin-4-yloxypropan-2-ol (CID 118796637) is 1-imidazol-1-yl-3-quinazolin-4-yloxypropan-2-ol.
What is the SMILES notation for 1-imidazol-1-yl-3-quinazolin-4-yloxypropan-2-ol?
The canonical SMILES for 1-imidazol-1-yl-3-quinazolin-4-yloxypropan-2-ol is OC(COc1ncnc2ccccc12)Cn1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-3-quinazolin-4-yloxypropan-2-ol?
The InChIKey is KTWJKWUVFXXMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c19-11(7-18-6-5-15-10-18)8-20-14-12-3-1-2-4-13(12)16-9-17-14/h1-6,9-11,19H,7-8H2.
What are the key properties of 1-imidazol-1-yl-3-quinazolin-4-yloxypropan-2-ol?
1-imidazol-1-yl-3-quinazolin-4-yloxypropan-2-ol has a molecular weight of 270.29 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-3-quinazolin-4-yloxypropan-2-ol is sourced from PubChem (CID 118796637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).