3-(4-hydroxyphenyl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one

C19H20N2O2 — CID 686788

IUPAC3-(4-hydroxyphenyl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
SMILESO=C1c2ccccc2NC2(CCCCC2)N1c1ccc(O)cc1
InChIInChI=1S/C19H20N2O2/c22-15-10-8-14(9-11-15)21-18(23)16-6-2-3-7-17(16)20-19(21)12-4-1-5-13-19/h2-3,6-11,20,22H,1,4-5,12-13H2
InChIKeyQSTBRYRYLZWOMN-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.12
Rot. Bonds1

About 3-(4-hydroxyphenyl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one

3-(4-hydroxyphenyl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one (PubChem CID 686788) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
PubChem CID686788
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-(4-hydroxyphenyl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
SMILESO=C1c2ccccc2NC2(CCCCC2)N1c1ccc(O)cc1
InChIInChI=1S/C19H20N2O2/c22-15-10-8-14(9-11-15)21-18(23)16-6-2-3-7-17(16)20-19(21)12-4-1-5-13-19/h2-3,6-11,20,22H,1,4-5,12-13H2
InChIKeyQSTBRYRYLZWOMN-UHFFFAOYSA-N
XLogP4.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one?
The IUPAC name of 3-(4-hydroxyphenyl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one (CID 686788) is 3-(4-hydroxyphenyl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one?
The canonical SMILES for 3-(4-hydroxyphenyl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one is O=C1c2ccccc2NC2(CCCCC2)N1c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one?
The InChIKey is QSTBRYRYLZWOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-15-10-8-14(9-11-15)21-18(23)16-6-2-3-7-17(16)20-19(21)12-4-1-5-13-19/h2-3,6-11,20,22H,1,4-5,12-13H2.
What are the key properties of 3-(4-hydroxyphenyl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one?
3-(4-hydroxyphenyl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one has a molecular weight of 308.38 g/mol, XLogP of 4.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 686788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).