[7-ethoxy-4-(1-ethyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]methanol

C22H22N4O2 — CID 169231077

IUPAC[7-ethoxy-4-(1-ethyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]methanol
SMILESCCOc1cc2ncnc(-c3cn(CC)nc3-c3ccccc3)c2cc1CO
InChIInChI=1S/C22H22N4O2/c1-3-26-12-18(21(25-26)15-8-6-5-7-9-15)22-17-10-16(13-27)20(28-4-2)11-19(17)23-14-24-22/h5-12,14,27H,3-4,13H2,1-2H3
InChIKeyOUCKLQAVAREMIH-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.07
Rot. Bonds6

About [7-ethoxy-4-(1-ethyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]methanol

[7-ethoxy-4-(1-ethyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]methanol (PubChem CID 169231077) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is [7-ethoxy-4-(1-ethyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]methanol.

Molecular Properties

Compound Name[7-ethoxy-4-(1-ethyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]methanol
PubChem CID169231077
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name[7-ethoxy-4-(1-ethyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]methanol
SMILESCCOc1cc2ncnc(-c3cn(CC)nc3-c3ccccc3)c2cc1CO
InChIInChI=1S/C22H22N4O2/c1-3-26-12-18(21(25-26)15-8-6-5-7-9-15)22-17-10-16(13-27)20(28-4-2)11-19(17)23-14-24-22/h5-12,14,27H,3-4,13H2,1-2H3
InChIKeyOUCKLQAVAREMIH-UHFFFAOYSA-N
XLogP4.07
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-ethoxy-4-(1-ethyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]methanol?
The IUPAC name of [7-ethoxy-4-(1-ethyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]methanol (CID 169231077) is [7-ethoxy-4-(1-ethyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]methanol.
What is the SMILES notation for [7-ethoxy-4-(1-ethyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]methanol?
The canonical SMILES for [7-ethoxy-4-(1-ethyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]methanol is CCOc1cc2ncnc(-c3cn(CC)nc3-c3ccccc3)c2cc1CO.
What is the InChIKey of [7-ethoxy-4-(1-ethyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]methanol?
The InChIKey is OUCKLQAVAREMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-3-26-12-18(21(25-26)15-8-6-5-7-9-15)22-17-10-16(13-27)20(28-4-2)11-19(17)23-14-24-22/h5-12,14,27H,3-4,13H2,1-2H3.
What are the key properties of [7-ethoxy-4-(1-ethyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]methanol?
[7-ethoxy-4-(1-ethyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]methanol has a molecular weight of 374.44 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-ethoxy-4-(1-ethyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]methanol is sourced from PubChem (CID 169231077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).