3-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylquinazolin-4-one

C22H26N4OS — CID 154575991

IUPAC3-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1CC1CCN(Cc2csc(C3CC3)n2)CC1
InChIInChI=1S/C22H26N4OS/c1-15-23-20-5-3-2-4-19(20)22(27)26(15)12-16-8-10-25(11-9-16)13-18-14-28-21(24-18)17-6-7-17/h2-5,14,16-17H,6-13H2,1H3
InChIKeyHYFKMFBQLSDVAR-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.95
Rot. Bonds5

About 3-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylquinazolin-4-one

3-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylquinazolin-4-one (PubChem CID 154575991) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is 3-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylquinazolin-4-one
PubChem CID154575991
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name3-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1CC1CCN(Cc2csc(C3CC3)n2)CC1
InChIInChI=1S/C22H26N4OS/c1-15-23-20-5-3-2-4-19(20)22(27)26(15)12-16-8-10-25(11-9-16)13-18-14-28-21(24-18)17-6-7-17/h2-5,14,16-17H,6-13H2,1H3
InChIKeyHYFKMFBQLSDVAR-UHFFFAOYSA-N
XLogP3.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylquinazolin-4-one with MolForge

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Related Compounds

2-[4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 163345449
N-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328165
2-methyl-3-(3-piperidin-4-ylpropyl)quinazolin-4-one
CID 20717835
3-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one
CID 146079219
6-cyclopropyl-2-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927350
4-[4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile
CID 154883213
2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 171130226
1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 119908160
N-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328418
3-(cyclopropylmethyl)-2-[1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949849
2-cyclopropyl-4-[[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 75502016
(2R)-N-cyclopropyl-2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide
CID 129490200

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylquinazolin-4-one (CID 154575991) is 3-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1CC1CCN(Cc2csc(C3CC3)n2)CC1.
What is the InChIKey of 3-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylquinazolin-4-one?
The InChIKey is HYFKMFBQLSDVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-15-23-20-5-3-2-4-19(20)22(27)26(15)12-16-8-10-25(11-9-16)13-18-14-28-21(24-18)17-6-7-17/h2-5,14,16-17H,6-13H2,1H3.
What are the key properties of 3-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylquinazolin-4-one?
3-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylquinazolin-4-one has a molecular weight of 394.54 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 154575991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).