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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Related Compounds

5-chloro-2-ethyl-3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one
CID 144977778
2-chloro-5-methyl-3-pyrrolidin-2-ylquinazolin-4-one
CID 117263619
2-[(2-amino-7H-purin-6-yl)sulfanylmethyl]-3-cyclopropyl-5-methylquinazolin-4-one
CID 10156577
1-piperidin-4-yl-2-propylbenzimidazole
CID 82063740
2-butyl-5-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one
CID 159346483
5-chloro-3-cyclopropyl-2-ethylquinazolin-4-one;5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidine-4,6-diamine
CID 144810768
5-chloro-2-ethyl-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 144977687
8-methyl-2-piperidin-4-yl-3-[1-(7H-purin-6-ylamino)propyl]isoquinolin-1-one
CID 90131012
3,4-dimethyl-1-piperidin-4-ylindazole
CID 84692853
6-methyl-1-piperidin-4-ylpyridin-2-one
CID 82105178
3-[(4S)-azepan-4-yl]-5-chloro-2-[2-[(2,6-diamino-5-chloropyrimidin-4-yl)amino]ethyl]quinazolin-4-one
CID 118578345
1,8-dimethyl-3-piperidin-4-ylquinazoline-2,4-dione
CID 117263130

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).