3-[2-[(2S)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one

C18H25N3O — CID 39805457

IUPAC3-[2-[(2S)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one
SMILESCC(C)N1CCCC[C@H]1CCn1cnc2ccccc2c1=O
InChIInChI=1S/C18H25N3O/c1-14(2)21-11-6-5-7-15(21)10-12-20-13-19-17-9-4-3-8-16(17)18(20)22/h3-4,8-9,13-15H,5-7,10-12H2,1-2H3/t15-/m0/s1
InChIKeyVNZBFOHWLXTBGM-HNNXBMFYSA-N
MW299.42 g/mol
LogP3.05
Rot. Bonds4

About 3-[2-[(2S)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one

3-[2-[(2S)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one (PubChem CID 39805457) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-[2-[(2S)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-[(2S)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one
PubChem CID39805457
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name3-[2-[(2S)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one
SMILESCC(C)N1CCCC[C@H]1CCn1cnc2ccccc2c1=O
InChIInChI=1S/C18H25N3O/c1-14(2)21-11-6-5-7-15(21)10-12-20-13-19-17-9-4-3-8-16(17)18(20)22/h3-4,8-9,13-15H,5-7,10-12H2,1-2H3/t15-/m0/s1
InChIKeyVNZBFOHWLXTBGM-HNNXBMFYSA-N
XLogP3.05
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-one
CID 39817998
7-fluoro-3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one
CID 39791222
3-[3-[(2S)-2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124698567
3-[3-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124692808
3-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 95577677
3-propylquinazolin-4-one
CID 529124
7,8-dimethyl-3-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]quinazolin-4-one
CID 39830800
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
2-(4-oxoquinazolin-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 95229580
3-[2-cyclopentyl-2-(ethylamino)ethyl]quinazolin-4-one
CID 104747287
N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059200

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-[(2S)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one (CID 39805457) is 3-[2-[(2S)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-[(2S)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-[(2S)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one is CC(C)N1CCCC[C@H]1CCn1cnc2ccccc2c1=O.
What is the InChIKey of 3-[2-[(2S)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one?
The InChIKey is VNZBFOHWLXTBGM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14(2)21-11-6-5-7-15(21)10-12-20-13-19-17-9-4-3-8-16(17)18(20)22/h3-4,8-9,13-15H,5-7,10-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 3-[2-[(2S)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one?
3-[2-[(2S)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one has a molecular weight of 299.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one is sourced from PubChem (CID 39805457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).