3-(3-hydroxyphenyl)-2-methyl-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one

C20H23N3O2 — CID 56670190

IUPAC3-(3-hydroxyphenyl)-2-methyl-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one
SMILESCC1Nc2ccc(N3CCCCC3)cc2C(=O)N1c1cccc(O)c1
InChIInChI=1S/C20H23N3O2/c1-14-21-19-9-8-15(22-10-3-2-4-11-22)13-18(19)20(25)23(14)16-6-5-7-17(24)12-16/h5-9,12-14,21,24H,2-4,10-11H2,1H3
InChIKeyBRQYKMOQBRVSGU-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.80
Rot. Bonds2

About 3-(3-hydroxyphenyl)-2-methyl-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one

3-(3-hydroxyphenyl)-2-methyl-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one (PubChem CID 56670190) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-2-methyl-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-2-methyl-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one
PubChem CID56670190
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-(3-hydroxyphenyl)-2-methyl-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one
SMILESCC1Nc2ccc(N3CCCCC3)cc2C(=O)N1c1cccc(O)c1
InChIInChI=1S/C20H23N3O2/c1-14-21-19-9-8-15(22-10-3-2-4-11-22)13-18(19)20(25)23(14)16-6-5-7-17(24)12-16/h5-9,12-14,21,24H,2-4,10-11H2,1H3
InChIKeyBRQYKMOQBRVSGU-UHFFFAOYSA-N
XLogP3.80
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-2-methyl-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(3-hydroxyphenyl)-2-methyl-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one (CID 56670190) is 3-(3-hydroxyphenyl)-2-methyl-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(3-hydroxyphenyl)-2-methyl-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(3-hydroxyphenyl)-2-methyl-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one is CC1Nc2ccc(N3CCCCC3)cc2C(=O)N1c1cccc(O)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)-2-methyl-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is BRQYKMOQBRVSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-21-19-9-8-15(22-10-3-2-4-11-22)13-18(19)20(25)23(14)16-6-5-7-17(24)12-16/h5-9,12-14,21,24H,2-4,10-11H2,1H3.
What are the key properties of 3-(3-hydroxyphenyl)-2-methyl-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one?
3-(3-hydroxyphenyl)-2-methyl-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 337.42 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-2-methyl-6-piperidin-1-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 56670190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).