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

C15H16N4O2 — CID 118796638

IUPAC1-(2-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol
SMILESCc1nccn1CC(O)COc1ncnc2ccccc12
InChIInChI=1S/C15H16N4O2/c1-11-16-6-7-19(11)8-12(20)9-21-15-13-4-2-3-5-14(13)17-10-18-15/h2-7,10,12,20H,8-9H2,1H3
InChIKeyXTCMHHNUPIPYQB-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.57
Rot. Bonds5

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

1-(2-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol (PubChem CID 118796638) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-(2-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(2-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol
PubChem CID118796638
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name1-(2-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol
SMILESCc1nccn1CC(O)COc1ncnc2ccccc12
InChIInChI=1S/C15H16N4O2/c1-11-16-6-7-19(11)8-12(20)9-21-15-13-4-2-3-5-14(13)17-10-18-15/h2-7,10,12,20H,8-9H2,1H3
InChIKeyXTCMHHNUPIPYQB-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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Related Compounds

5-[[1-[(1-Methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 50997767
1-(4-(2-Fluorophenyl)piperazin-1-yl)-3-(quinazolin-4-yloxy)propan-2-ol (3d)
CID 118796624
1-(4-(3-(Trifluoromethyl)phenyl)piperazin-1-yl)-3-(quinazolin-4-yloxy)propan-2-ol (3j)
CID 118796630
1-(4-(4-Fluorophenyl)piperazin-1-yl)-3-(quinazolin-4-yloxy)propan-2-ol (3e)
CID 118796625
1-(4-(3-Methoxyphenyl)piperazin-1-yl)-3-(quinazolin-4-yloxy)propan-2-ol (3h)
CID 118796628
US10167270, Example 127
CID 124168452
1-(Dimethylamino)-3-(quinazolin-4-yloxy)propan-2-ol (3q)
CID 12237537
1-(Piperidin-1-yl)-3-(quinazolin-4-yloxy)propan-2-ol (3s)
CID 12237545
1-Morpholino-3-(quinazolin-4-yloxy)propan-2-ol (3r)
CID 12237547
1-(4-Phenylpiperazin-1-yl)-3-(quinazolin-4-yloxy)propan-2-ol (3a)
CID 118796621
1-(4-(2-Chlorophenyl)piperazin-1-yl)-3-(quinazolin-4-yloxy)propan-2-ol (3b)
CID 118796622
1-(4-(3-Chlorophenyl)piperazin-1-yl)-3-(quinazolin-4-yloxy)propan-2-ol (3c)
CID 118796623

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol?
The IUPAC name of 1-(2-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol (CID 118796638) is 1-(2-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol.
What is the SMILES notation for 1-(2-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol?
The canonical SMILES for 1-(2-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol is Cc1nccn1CC(O)COc1ncnc2ccccc12.
What is the InChIKey of 1-(2-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol?
The InChIKey is XTCMHHNUPIPYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-11-16-6-7-19(11)8-12(20)9-21-15-13-4-2-3-5-14(13)17-10-18-15/h2-7,10,12,20H,8-9H2,1H3.
What are the key properties of 1-(2-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol?
1-(2-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-(2-methylimidazol-1-yl)-3-quinazolin-4-yloxypropan-2-ol is sourced from PubChem (CID 118796638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).