6-methoxy-3-[1-(2-phenylethyl)piperidin-4-yl]quinazolin-4-one

C22H25N3O2 — CID 70610696

IUPAC6-methoxy-3-[1-(2-phenylethyl)piperidin-4-yl]quinazolin-4-one
SMILESCOc1ccc2ncn(C3CCN(CCc4ccccc4)CC3)c(=O)c2c1
InChIInChI=1S/C22H25N3O2/c1-27-19-7-8-21-20(15-19)22(26)25(16-23-21)18-10-13-24(14-11-18)12-9-17-5-3-2-4-6-17/h2-8,15-16,18H,9-14H2,1H3
InChIKeyHSUROGQQIQWKSZ-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.28
Rot. Bonds5

About 6-methoxy-3-[1-(2-phenylethyl)piperidin-4-yl]quinazolin-4-one

6-methoxy-3-[1-(2-phenylethyl)piperidin-4-yl]quinazolin-4-one (PubChem CID 70610696) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 6-methoxy-3-[1-(2-phenylethyl)piperidin-4-yl]quinazolin-4-one.

Molecular Properties

Compound Name6-methoxy-3-[1-(2-phenylethyl)piperidin-4-yl]quinazolin-4-one
PubChem CID70610696
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name6-methoxy-3-[1-(2-phenylethyl)piperidin-4-yl]quinazolin-4-one
SMILESCOc1ccc2ncn(C3CCN(CCc4ccccc4)CC3)c(=O)c2c1
InChIInChI=1S/C22H25N3O2/c1-27-19-7-8-21-20(15-19)22(26)25(16-23-21)18-10-13-24(14-11-18)12-9-17-5-3-2-4-6-17/h2-8,15-16,18H,9-14H2,1H3
InChIKeyHSUROGQQIQWKSZ-UHFFFAOYSA-N
XLogP3.28
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 50828339
3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 139023691
3-(1-benzylsulfonylpiperidin-4-yl)quinazolin-4-one
CID 53010931
(1S)-1-(6-methoxyquinolin-4-yl)-2-[4-(4-phenylbutyl)piperazin-1-yl]ethanamine
CID 10180321
7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 23331334
3-[1-[2-(N-(2-propan-2-ylphenyl)anilino)ethyl]piperidin-4-yl]quinazolin-4-one
CID 59956252
3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264158
3-[(2S)-2-hydroxy-2-phenylethyl]-6-methoxyquinazolin-4-one
CID 166385913
4-methyl-2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]pyridine-3-carboxylic acid
CID 170511544
3-[1-(2-phenoxazin-10-ylethyl)piperidin-4-yl]quinazolin-4-one;hydrochloride
CID 162323183
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine
CID 140529272
6-chloro-3-(1-ethylsulfonylpiperidin-4-yl)quinazolin-4-one
CID 53113790

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[1-(2-phenylethyl)piperidin-4-yl]quinazolin-4-one?
The IUPAC name of 6-methoxy-3-[1-(2-phenylethyl)piperidin-4-yl]quinazolin-4-one (CID 70610696) is 6-methoxy-3-[1-(2-phenylethyl)piperidin-4-yl]quinazolin-4-one.
What is the SMILES notation for 6-methoxy-3-[1-(2-phenylethyl)piperidin-4-yl]quinazolin-4-one?
The canonical SMILES for 6-methoxy-3-[1-(2-phenylethyl)piperidin-4-yl]quinazolin-4-one is COc1ccc2ncn(C3CCN(CCc4ccccc4)CC3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-3-[1-(2-phenylethyl)piperidin-4-yl]quinazolin-4-one?
The InChIKey is HSUROGQQIQWKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-27-19-7-8-21-20(15-19)22(26)25(16-23-21)18-10-13-24(14-11-18)12-9-17-5-3-2-4-6-17/h2-8,15-16,18H,9-14H2,1H3.
What are the key properties of 6-methoxy-3-[1-(2-phenylethyl)piperidin-4-yl]quinazolin-4-one?
6-methoxy-3-[1-(2-phenylethyl)piperidin-4-yl]quinazolin-4-one has a molecular weight of 363.46 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[1-(2-phenylethyl)piperidin-4-yl]quinazolin-4-one is sourced from PubChem (CID 70610696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).