2-(piperidin-1-ylmethyl)-3-prop-2-enylquinazolin-4-one

C17H21N3O — CID 124927087

IUPAC2-(piperidin-1-ylmethyl)-3-prop-2-enylquinazolin-4-one
SMILESC=CCn1c(CN2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C17H21N3O/c1-2-10-20-16(13-19-11-6-3-7-12-19)18-15-9-5-4-8-14(15)17(20)21/h2,4-5,8-9H,1,3,6-7,10-13H2
InChIKeyNVCOVJBWSZNPFZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.57
Rot. Bonds4

About 2-(piperidin-1-ylmethyl)-3-prop-2-enylquinazolin-4-one

2-(piperidin-1-ylmethyl)-3-prop-2-enylquinazolin-4-one (PubChem CID 124927087) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-3-prop-2-enylquinazolin-4-one.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-3-prop-2-enylquinazolin-4-one
PubChem CID124927087
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(piperidin-1-ylmethyl)-3-prop-2-enylquinazolin-4-one
SMILESC=CCn1c(CN2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C17H21N3O/c1-2-10-20-16(13-19-11-6-3-7-12-19)18-15-9-5-4-8-14(15)17(20)21/h2,4-5,8-9H,1,3,6-7,10-13H2
InChIKeyNVCOVJBWSZNPFZ-UHFFFAOYSA-N
XLogP2.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one
CID 92589760
2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
CID 8679806
2-ethyl-3-prop-2-enylquinazolin-4-one
CID 154543894
N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 655418
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylquinazolin-4-one
CID 769355
2-(azepan-1-ylmethyl)-3-(4-fluorophenyl)quinazolin-4-one
CID 991488
N-(4-methylphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 4606267
2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one
CID 2487613
N-[(1S,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 1166555
2-(morpholin-4-ylmethyl)-3-[[(2S)-oxan-2-yl]methyl]quinazolin-4-one
CID 94178972
2-(morpholin-4-ylmethyl)-3-[[(2R)-oxan-2-yl]methyl]quinazolin-4-one
CID 94178973
3-ethyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]quinazolin-4-one
CID 92589759

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-3-prop-2-enylquinazolin-4-one?
The IUPAC name of 2-(piperidin-1-ylmethyl)-3-prop-2-enylquinazolin-4-one (CID 124927087) is 2-(piperidin-1-ylmethyl)-3-prop-2-enylquinazolin-4-one.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-3-prop-2-enylquinazolin-4-one?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-3-prop-2-enylquinazolin-4-one is C=CCn1c(CN2CCCCC2)nc2ccccc2c1=O.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-3-prop-2-enylquinazolin-4-one?
The InChIKey is NVCOVJBWSZNPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-10-20-16(13-19-11-6-3-7-12-19)18-15-9-5-4-8-14(15)17(20)21/h2,4-5,8-9H,1,3,6-7,10-13H2.
What are the key properties of 2-(piperidin-1-ylmethyl)-3-prop-2-enylquinazolin-4-one?
2-(piperidin-1-ylmethyl)-3-prop-2-enylquinazolin-4-one has a molecular weight of 283.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-3-prop-2-enylquinazolin-4-one is sourced from PubChem (CID 124927087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).