3-benzyl-7-(2-chloro-2-piperidin-2-ylethyl)quinazolin-4-one

C22H24ClN3O — CID 69064891

IUPAC3-benzyl-7-(2-chloro-2-piperidin-2-ylethyl)quinazolin-4-one
SMILESO=c1c2ccc(CC(Cl)C3CCCCN3)cc2ncn1Cc1ccccc1
InChIInChI=1S/C22H24ClN3O/c23-19(20-8-4-5-11-24-20)12-17-9-10-18-21(13-17)25-15-26(22(18)27)14-16-6-2-1-3-7-16/h1-3,6-7,9-10,13,15,19-20,24H,4-5,8,11-12,14H2
InChIKeyXRNYPOYWRVAKHR-UHFFFAOYSA-N
MW381.91 g/mol
LogP3.74
Rot. Bonds5

About 3-benzyl-7-(2-chloro-2-piperidin-2-ylethyl)quinazolin-4-one

3-benzyl-7-(2-chloro-2-piperidin-2-ylethyl)quinazolin-4-one (PubChem CID 69064891) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is 3-benzyl-7-(2-chloro-2-piperidin-2-ylethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-7-(2-chloro-2-piperidin-2-ylethyl)quinazolin-4-one
PubChem CID69064891
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name3-benzyl-7-(2-chloro-2-piperidin-2-ylethyl)quinazolin-4-one
SMILESO=c1c2ccc(CC(Cl)C3CCCCN3)cc2ncn1Cc1ccccc1
InChIInChI=1S/C22H24ClN3O/c23-19(20-8-4-5-11-24-20)12-17-9-10-18-21(13-17)25-15-26(22(18)27)14-16-6-2-1-3-7-16/h1-3,6-7,9-10,13,15,19-20,24H,4-5,8,11-12,14H2
InChIKeyXRNYPOYWRVAKHR-UHFFFAOYSA-N
XLogP3.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-7-bromoquinazolin-4-one
CID 23158166
3-benzyl-7-fluoroquinazolin-4-one
CID 17474862
3-benzyl-7-hydrazinylquinazolin-4-one
CID 69437236
7-amino-3-benzyl-6-bromoquinazolin-4-one
CID 102442740
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
3-[(3-phenylphenyl)methyl]quinazolin-4-one
CID 121275766
3-benzylpyrido[4,3-d]pyrimidin-4-one
CID 102429043
3-benzyl-6-hydroxy-7-methylquinazolin-4-one
CID 58824218
3-[(2R)-2-hydroxy-3-[(2R,3S)-3-phenylmethoxypiperidin-2-yl]propyl]quinazolin-4-one
CID 101467130
7-bromo-3-(2-phenylethyl)quinazolin-4-one
CID 79035663
7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one
CID 27076082
3-benzyl-6,7-bis(oxan-3-yloxy)quinazolin-4-one
CID 58001821

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-(2-chloro-2-piperidin-2-ylethyl)quinazolin-4-one?
The IUPAC name of 3-benzyl-7-(2-chloro-2-piperidin-2-ylethyl)quinazolin-4-one (CID 69064891) is 3-benzyl-7-(2-chloro-2-piperidin-2-ylethyl)quinazolin-4-one.
What is the SMILES notation for 3-benzyl-7-(2-chloro-2-piperidin-2-ylethyl)quinazolin-4-one?
The canonical SMILES for 3-benzyl-7-(2-chloro-2-piperidin-2-ylethyl)quinazolin-4-one is O=c1c2ccc(CC(Cl)C3CCCCN3)cc2ncn1Cc1ccccc1.
What is the InChIKey of 3-benzyl-7-(2-chloro-2-piperidin-2-ylethyl)quinazolin-4-one?
The InChIKey is XRNYPOYWRVAKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c23-19(20-8-4-5-11-24-20)12-17-9-10-18-21(13-17)25-15-26(22(18)27)14-16-6-2-1-3-7-16/h1-3,6-7,9-10,13,15,19-20,24H,4-5,8,11-12,14H2.
What are the key properties of 3-benzyl-7-(2-chloro-2-piperidin-2-ylethyl)quinazolin-4-one?
3-benzyl-7-(2-chloro-2-piperidin-2-ylethyl)quinazolin-4-one has a molecular weight of 381.91 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-(2-chloro-2-piperidin-2-ylethyl)quinazolin-4-one is sourced from PubChem (CID 69064891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).