3-methyl-2-(2-piperidin-1-ylethyl)quinazolin-4-one

C16H21N3O — CID 102371390

IUPAC3-methyl-2-(2-piperidin-1-ylethyl)quinazolin-4-one
SMILESCn1c(CCN2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C16H21N3O/c1-18-15(9-12-19-10-5-2-6-11-19)17-14-8-4-3-7-13(14)16(18)20/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyUCVWYAXLIYTJCT-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.96
Rot. Bonds3

About 3-methyl-2-(2-piperidin-1-ylethyl)quinazolin-4-one

3-methyl-2-(2-piperidin-1-ylethyl)quinazolin-4-one (PubChem CID 102371390) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-methyl-2-(2-piperidin-1-ylethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-(2-piperidin-1-ylethyl)quinazolin-4-one
PubChem CID102371390
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-methyl-2-(2-piperidin-1-ylethyl)quinazolin-4-one
SMILESCn1c(CCN2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C16H21N3O/c1-18-15(9-12-19-10-5-2-6-11-19)17-14-8-4-3-7-13(14)16(18)20/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyUCVWYAXLIYTJCT-UHFFFAOYSA-N
XLogP1.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
2-(bromomethyl)-3-methylquinazolin-4-one
CID 15707759
ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
CID 91302678
2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride
CID 75537334
3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one
CID 92589760
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 55424414
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide
CID 110351985
2-[[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methyl]-3-methylquinazolin-4-one
CID 126794965
2-(piperidin-1-ylmethyl)-3-prop-2-enylquinazolin-4-one
CID 124927087
2-[(2-benzylmorpholin-4-yl)methyl]-3-methylquinazolin-4-one
CID 122135267
2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid
CID 61394536
2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
CID 8679806

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-piperidin-1-ylethyl)quinazolin-4-one?
The IUPAC name of 3-methyl-2-(2-piperidin-1-ylethyl)quinazolin-4-one (CID 102371390) is 3-methyl-2-(2-piperidin-1-ylethyl)quinazolin-4-one.
What is the SMILES notation for 3-methyl-2-(2-piperidin-1-ylethyl)quinazolin-4-one?
The canonical SMILES for 3-methyl-2-(2-piperidin-1-ylethyl)quinazolin-4-one is Cn1c(CCN2CCCCC2)nc2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-(2-piperidin-1-ylethyl)quinazolin-4-one?
The InChIKey is UCVWYAXLIYTJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-18-15(9-12-19-10-5-2-6-11-19)17-14-8-4-3-7-13(14)16(18)20/h3-4,7-8H,2,5-6,9-12H2,1H3.
What are the key properties of 3-methyl-2-(2-piperidin-1-ylethyl)quinazolin-4-one?
3-methyl-2-(2-piperidin-1-ylethyl)quinazolin-4-one has a molecular weight of 271.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-piperidin-1-ylethyl)quinazolin-4-one is sourced from PubChem (CID 102371390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).