7,8-dimethyl-3-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]quinazolin-4-one

C18H25N3O — CID 39830800

IUPAC7,8-dimethyl-3-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]quinazolin-4-one
SMILESCc1ccc2c(=O)n(CC[C@@H]3CCCCN3C)cnc2c1C
InChIInChI=1S/C18H25N3O/c1-13-7-8-16-17(14(13)2)19-12-21(18(16)22)11-9-15-6-4-5-10-20(15)3/h7-8,12,15H,4-6,9-11H2,1-3H3/t15-/m0/s1
InChIKeyLCLFVXVAFCNWPS-HNNXBMFYSA-N
MW299.42 g/mol
LogP2.89
Rot. Bonds3

About 7,8-dimethyl-3-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]quinazolin-4-one

7,8-dimethyl-3-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]quinazolin-4-one (PubChem CID 39830800) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 7,8-dimethyl-3-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name7,8-dimethyl-3-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]quinazolin-4-one
PubChem CID39830800
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name7,8-dimethyl-3-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]quinazolin-4-one
SMILESCc1ccc2c(=O)n(CC[C@@H]3CCCCN3C)cnc2c1C
InChIInChI=1S/C18H25N3O/c1-13-7-8-16-17(14(13)2)19-12-21(18(16)22)11-9-15-6-4-5-10-20(15)3/h7-8,12,15H,4-6,9-11H2,1-3H3/t15-/m0/s1
InChIKeyLCLFVXVAFCNWPS-HNNXBMFYSA-N
XLogP2.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913277
3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-one
CID 39817998
3-[2-[(2S)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one
CID 39805457
7-fluoro-3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one
CID 39791222
2,4-dimethyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
CID 107910970
2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine
CID 107914179
7,8-dimethyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinazolin-4-one
CID 39760948
4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrazol-3-amine
CID 107912156
1-methyl-2-[2-(5-methylpyrazol-1-yl)ethyl]piperidine
CID 107914184
N'-hydroxy-1-[2-(1-methylpiperidin-2-yl)ethyl]-2-oxopyridine-3-carboximidamide
CID 107913580
2,2,2-trifluoro-1-[7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]ethanone
CID 67255523
1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid
CID 67255296

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-3-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]quinazolin-4-one?
The IUPAC name of 7,8-dimethyl-3-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]quinazolin-4-one (CID 39830800) is 7,8-dimethyl-3-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]quinazolin-4-one.
What is the SMILES notation for 7,8-dimethyl-3-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]quinazolin-4-one?
The canonical SMILES for 7,8-dimethyl-3-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]quinazolin-4-one is Cc1ccc2c(=O)n(CC[C@@H]3CCCCN3C)cnc2c1C.
What is the InChIKey of 7,8-dimethyl-3-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]quinazolin-4-one?
The InChIKey is LCLFVXVAFCNWPS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13-7-8-16-17(14(13)2)19-12-21(18(16)22)11-9-15-6-4-5-10-20(15)3/h7-8,12,15H,4-6,9-11H2,1-3H3/t15-/m0/s1.
What are the key properties of 7,8-dimethyl-3-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]quinazolin-4-one?
7,8-dimethyl-3-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]quinazolin-4-one has a molecular weight of 299.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-3-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]quinazolin-4-one is sourced from PubChem (CID 39830800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).