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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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).