2-cyclopropyl-3-[[4-hydroxy-1-(2-methylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one

C21H27N3O3 — CID 92552853

IUPAC2-cyclopropyl-3-[[4-hydroxy-1-(2-methylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESCC(C)C(=O)N1CCC(O)(Cn2c(C3CC3)nc3ccccc3c2=O)CC1
InChIInChI=1S/C21H27N3O3/c1-14(2)19(25)23-11-9-21(27,10-12-23)13-24-18(15-7-8-15)22-17-6-4-3-5-16(17)20(24)26/h3-6,14-15,27H,7-13H2,1-2H3
InChIKeyGRYCHRWDDDHOSJ-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.28
Rot. Bonds4

About 2-cyclopropyl-3-[[4-hydroxy-1-(2-methylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one

2-cyclopropyl-3-[[4-hydroxy-1-(2-methylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one (PubChem CID 92552853) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-cyclopropyl-3-[[4-hydroxy-1-(2-methylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-3-[[4-hydroxy-1-(2-methylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one
PubChem CID92552853
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-cyclopropyl-3-[[4-hydroxy-1-(2-methylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESCC(C)C(=O)N1CCC(O)(Cn2c(C3CC3)nc3ccccc3c2=O)CC1
InChIInChI=1S/C21H27N3O3/c1-14(2)19(25)23-11-9-21(27,10-12-23)13-24-18(15-7-8-15)22-17-6-4-3-5-16(17)20(24)26/h3-6,14-15,27H,7-13H2,1-2H3
InChIKeyGRYCHRWDDDHOSJ-UHFFFAOYSA-N
XLogP2.28
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[[4-hydroxy-1-(2-methylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 2-cyclopropyl-3-[[4-hydroxy-1-(2-methylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one (CID 92552853) is 2-cyclopropyl-3-[[4-hydroxy-1-(2-methylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 2-cyclopropyl-3-[[4-hydroxy-1-(2-methylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 2-cyclopropyl-3-[[4-hydroxy-1-(2-methylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one is CC(C)C(=O)N1CCC(O)(Cn2c(C3CC3)nc3ccccc3c2=O)CC1.
What is the InChIKey of 2-cyclopropyl-3-[[4-hydroxy-1-(2-methylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one?
The InChIKey is GRYCHRWDDDHOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14(2)19(25)23-11-9-21(27,10-12-23)13-24-18(15-7-8-15)22-17-6-4-3-5-16(17)20(24)26/h3-6,14-15,27H,7-13H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-[[4-hydroxy-1-(2-methylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one?
2-cyclopropyl-3-[[4-hydroxy-1-(2-methylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one has a molecular weight of 369.47 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[[4-hydroxy-1-(2-methylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 92552853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).