2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one

C16H21N3O — CID 137298702

IUPAC2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one
SMILESCCN1CCC(c2nc3ccc(C)cc3c(=O)[nH]2)CC1
InChIInChI=1S/C16H21N3O/c1-3-19-8-6-12(7-9-19)15-17-14-5-4-11(2)10-13(14)16(20)18-15/h4-5,10,12H,3,6-9H2,1-2H3,(H,17,18,20)
InChIKeyDOCWYWPEQYNQHM-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.43
Rot. Bonds2

About 2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one

2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one (PubChem CID 137298702) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one
PubChem CID137298702
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one
SMILESCCN1CCC(c2nc3ccc(C)cc3c(=O)[nH]2)CC1
InChIInChI=1S/C16H21N3O/c1-3-19-8-6-12(7-9-19)15-17-14-5-4-11(2)10-13(14)16(20)18-15/h4-5,10,12H,3,6-9H2,1-2H3,(H,17,18,20)
InChIKeyDOCWYWPEQYNQHM-UHFFFAOYSA-N
XLogP2.43
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-6-methyl-3H-quinazolin-4-one
CID 136578643
6-methyl-2-[1-[(3-thiophen-3-ylphenyl)methyl]piperidin-4-yl]-3H-quinazolin-4-one
CID 137298684
7-bromo-2-(1-ethylpiperidin-4-yl)-8-fluoro-6-iodo-3H-quinazolin-4-one
CID 155244550
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 108733576
2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135447986
2-cyclopentyl-6-fluoro-3H-quinazolin-4-one
CID 137190164
3-[[4-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]methyl]benzonitrile
CID 137298681
2-(chloromethyl)-6-methyl-3H-quinazolin-4-one
CID 135715019
3-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-benzimidazol-2-one
CID 117207857
3-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one
CID 117207118
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 1430418

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one (CID 137298702) is 2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one is CCN1CCC(c2nc3ccc(C)cc3c(=O)[nH]2)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one?
The InChIKey is DOCWYWPEQYNQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-19-8-6-12(7-9-19)15-17-14-5-4-11(2)10-13(14)16(20)18-15/h4-5,10,12H,3,6-9H2,1-2H3,(H,17,18,20).
What are the key properties of 2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one?
2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one has a molecular weight of 271.36 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 137298702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).