2-methyl-3-(3-piperidin-4-ylpropyl)quinazolin-4-one

C17H23N3O — CID 20717835

IUPAC2-methyl-3-(3-piperidin-4-ylpropyl)quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1CCCC1CCNCC1
InChIInChI=1S/C17H23N3O/c1-13-19-16-7-3-2-6-15(16)17(21)20(13)12-4-5-14-8-10-18-11-9-14/h2-3,6-7,14,18H,4-5,8-12H2,1H3
InChIKeyYMJBDDTUMALIRK-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.48
Rot. Bonds4

About 2-methyl-3-(3-piperidin-4-ylpropyl)quinazolin-4-one

2-methyl-3-(3-piperidin-4-ylpropyl)quinazolin-4-one (PubChem CID 20717835) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-3-(3-piperidin-4-ylpropyl)quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-(3-piperidin-4-ylpropyl)quinazolin-4-one
PubChem CID20717835
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-methyl-3-(3-piperidin-4-ylpropyl)quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1CCCC1CCNCC1
InChIInChI=1S/C17H23N3O/c1-13-19-16-7-3-2-6-15(16)17(21)20(13)12-4-5-14-8-10-18-11-9-14/h2-3,6-7,14,18H,4-5,8-12H2,1H3
InChIKeyYMJBDDTUMALIRK-UHFFFAOYSA-N
XLogP2.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one
CID 30370658
4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1,2-oxazolidine-3,5-dione
CID 15041060
N-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide
CID 54672499
(3S)-1-[4-(2-methyl-4-oxoquinazolin-3-yl)butanoyl]pyrrolidine-3-carboxamide
CID 94512727
3-[4-(2,2-dimethyl-1,3-dioxan-5-yl)butyl]-2-ethylquinazolin-4-one
CID 141122386
3-(2-hydroxybutyl)-2-methylquinazolin-4-one
CID 154753235
2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79707187
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388
3-[4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-4-oxobutyl]-2-methylquinazolin-4-one
CID 95269637
3-methyl-1-(2-piperidin-4-ylethyl)indazole
CID 82513483
3-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylquinazolin-4-one
CID 154575991
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 96543678

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-piperidin-4-ylpropyl)quinazolin-4-one?
The IUPAC name of 2-methyl-3-(3-piperidin-4-ylpropyl)quinazolin-4-one (CID 20717835) is 2-methyl-3-(3-piperidin-4-ylpropyl)quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-(3-piperidin-4-ylpropyl)quinazolin-4-one?
The canonical SMILES for 2-methyl-3-(3-piperidin-4-ylpropyl)quinazolin-4-one is Cc1nc2ccccc2c(=O)n1CCCC1CCNCC1.
What is the InChIKey of 2-methyl-3-(3-piperidin-4-ylpropyl)quinazolin-4-one?
The InChIKey is YMJBDDTUMALIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-19-16-7-3-2-6-15(16)17(21)20(13)12-4-5-14-8-10-18-11-9-14/h2-3,6-7,14,18H,4-5,8-12H2,1H3.
What are the key properties of 2-methyl-3-(3-piperidin-4-ylpropyl)quinazolin-4-one?
2-methyl-3-(3-piperidin-4-ylpropyl)quinazolin-4-one has a molecular weight of 285.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-piperidin-4-ylpropyl)quinazolin-4-one is sourced from PubChem (CID 20717835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).