1-(4-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol

C15H16N4O2 — CID 118796639

IUPAC1-(4-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol
SMILESCc1cn(CC(O)COc2ncnc3ccccc23)cn1
InChIInChI=1S/C15H16N4O2/c1-11-6-19(10-18-11)7-12(20)8-21-15-13-4-2-3-5-14(13)16-9-17-15/h2-6,9-10,12,20H,7-8H2,1H3
InChIKeyNRKBLKNBNMFJGW-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.57
Rot. Bonds5

About 1-(4-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol

1-(4-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol (PubChem CID 118796639) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-(4-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(4-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol
PubChem CID118796639
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name1-(4-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol
SMILESCc1cn(CC(O)COc2ncnc3ccccc23)cn1
InChIInChI=1S/C15H16N4O2/c1-11-6-19(10-18-11)7-12(20)8-21-15-13-4-2-3-5-14(13)16-9-17-15/h2-6,9-10,12,20H,7-8H2,1H3
InChIKeyNRKBLKNBNMFJGW-UHFFFAOYSA-N
XLogP1.57
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol?
The IUPAC name of 1-(4-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol (CID 118796639) is 1-(4-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol.
What is the SMILES notation for 1-(4-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol?
The canonical SMILES for 1-(4-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol is Cc1cn(CC(O)COc2ncnc3ccccc23)cn1.
What is the InChIKey of 1-(4-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol?
The InChIKey is NRKBLKNBNMFJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-11-6-19(10-18-11)7-12(20)8-21-15-13-4-2-3-5-14(13)16-9-17-15/h2-6,9-10,12,20H,7-8H2,1H3.
What are the key properties of 1-(4-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol?
1-(4-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol has a molecular weight of 284.32 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol is sourced from PubChem (CID 118796639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).