[7-ethoxy-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)quinazolin-6-yl]methanol

C23H24N4O2 — CID 169231209

IUPAC[7-ethoxy-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)quinazolin-6-yl]methanol
SMILESCCOc1cc2ncnc(-c3cn(C(C)C)nc3-c3ccccc3)c2cc1CO
InChIInChI=1S/C23H24N4O2/c1-4-29-21-11-20-18(10-17(21)13-28)23(25-14-24-20)19-12-27(15(2)3)26-22(19)16-8-6-5-7-9-16/h5-12,14-15,28H,4,13H2,1-3H3
InChIKeyJIYGTLIIZHWODM-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.63
Rot. Bonds6

About [7-ethoxy-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)quinazolin-6-yl]methanol

[7-ethoxy-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)quinazolin-6-yl]methanol (PubChem CID 169231209) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is [7-ethoxy-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)quinazolin-6-yl]methanol.

Molecular Properties

Compound Name[7-ethoxy-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)quinazolin-6-yl]methanol
PubChem CID169231209
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name[7-ethoxy-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)quinazolin-6-yl]methanol
SMILESCCOc1cc2ncnc(-c3cn(C(C)C)nc3-c3ccccc3)c2cc1CO
InChIInChI=1S/C23H24N4O2/c1-4-29-21-11-20-18(10-17(21)13-28)23(25-14-24-20)19-12-27(15(2)3)26-22(19)16-8-6-5-7-9-16/h5-12,14-15,28H,4,13H2,1-3H3
InChIKeyJIYGTLIIZHWODM-UHFFFAOYSA-N
XLogP4.63
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-ethoxy-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)quinazolin-6-yl]methanol?
The IUPAC name of [7-ethoxy-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)quinazolin-6-yl]methanol (CID 169231209) is [7-ethoxy-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)quinazolin-6-yl]methanol.
What is the SMILES notation for [7-ethoxy-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)quinazolin-6-yl]methanol?
The canonical SMILES for [7-ethoxy-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)quinazolin-6-yl]methanol is CCOc1cc2ncnc(-c3cn(C(C)C)nc3-c3ccccc3)c2cc1CO.
What is the InChIKey of [7-ethoxy-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)quinazolin-6-yl]methanol?
The InChIKey is JIYGTLIIZHWODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-4-29-21-11-20-18(10-17(21)13-28)23(25-14-24-20)19-12-27(15(2)3)26-22(19)16-8-6-5-7-9-16/h5-12,14-15,28H,4,13H2,1-3H3.
What are the key properties of [7-ethoxy-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)quinazolin-6-yl]methanol?
[7-ethoxy-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)quinazolin-6-yl]methanol has a molecular weight of 388.47 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-ethoxy-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)quinazolin-6-yl]methanol is sourced from PubChem (CID 169231209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).