2-ethyl-5-methyl-3-piperidin-4-ylquinazolin-4-one

C16H21N3O — CID 155183354

IUPAC2-ethyl-5-methyl-3-piperidin-4-ylquinazolin-4-one
SMILESCCc1nc2cccc(C)c2c(=O)n1C1CCNCC1
InChIInChI=1S/C16H21N3O/c1-3-14-18-13-6-4-5-11(2)15(13)16(20)19(14)12-7-9-17-10-8-12/h4-6,12,17H,3,7-10H2,1-2H3
InChIKeyZJTORMIIHZXOCL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.19
Rot. Bonds2

About 2-ethyl-5-methyl-3-piperidin-4-ylquinazolin-4-one

2-ethyl-5-methyl-3-piperidin-4-ylquinazolin-4-one (PubChem CID 155183354) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-ethyl-5-methyl-3-piperidin-4-ylquinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-5-methyl-3-piperidin-4-ylquinazolin-4-one
PubChem CID155183354
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-ethyl-5-methyl-3-piperidin-4-ylquinazolin-4-one
SMILESCCc1nc2cccc(C)c2c(=O)n1C1CCNCC1
InChIInChI=1S/C16H21N3O/c1-3-14-18-13-6-4-5-11(2)15(13)16(20)19(14)12-7-9-17-10-8-12/h4-6,12,17H,3,7-10H2,1-2H3
InChIKeyZJTORMIIHZXOCL-UHFFFAOYSA-N
XLogP2.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-3-piperidin-4-ylquinazolin-4-one?
The IUPAC name of 2-ethyl-5-methyl-3-piperidin-4-ylquinazolin-4-one (CID 155183354) is 2-ethyl-5-methyl-3-piperidin-4-ylquinazolin-4-one.
What is the SMILES notation for 2-ethyl-5-methyl-3-piperidin-4-ylquinazolin-4-one?
The canonical SMILES for 2-ethyl-5-methyl-3-piperidin-4-ylquinazolin-4-one is CCc1nc2cccc(C)c2c(=O)n1C1CCNCC1.
What is the InChIKey of 2-ethyl-5-methyl-3-piperidin-4-ylquinazolin-4-one?
The InChIKey is ZJTORMIIHZXOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-14-18-13-6-4-5-11(2)15(13)16(20)19(14)12-7-9-17-10-8-12/h4-6,12,17H,3,7-10H2,1-2H3.
What are the key properties of 2-ethyl-5-methyl-3-piperidin-4-ylquinazolin-4-one?
2-ethyl-5-methyl-3-piperidin-4-ylquinazolin-4-one has a molecular weight of 271.36 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-3-piperidin-4-ylquinazolin-4-one is sourced from PubChem (CID 155183354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).