7-methoxy-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]quinazolin-4-one

C20H25N5O2 — CID 154883158

IUPAC7-methoxy-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESCOc1ccc2c(=O)n(CC3CCN(CCn4cccn4)CC3)cnc2c1
InChIInChI=1S/C20H25N5O2/c1-27-17-3-4-18-19(13-17)21-15-24(20(18)26)14-16-5-9-23(10-6-16)11-12-25-8-2-7-22-25/h2-4,7-8,13,15-16H,5-6,9-12,14H2,1H3
InChIKeySDTJHLBHEZICOK-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.01
Rot. Bonds6

About 7-methoxy-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]quinazolin-4-one

7-methoxy-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]quinazolin-4-one (PubChem CID 154883158) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 7-methoxy-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-methoxy-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]quinazolin-4-one
PubChem CID154883158
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name7-methoxy-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESCOc1ccc2c(=O)n(CC3CCN(CCn4cccn4)CC3)cnc2c1
InChIInChI=1S/C20H25N5O2/c1-27-17-3-4-18-19(13-17)21-15-24(20(18)26)14-16-5-9-23(10-6-16)11-12-25-8-2-7-22-25/h2-4,7-8,13,15-16H,5-6,9-12,14H2,1H3
InChIKeySDTJHLBHEZICOK-UHFFFAOYSA-N
XLogP2.01
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-methoxy-3-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one
CID 154581150
3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154582915
7-methoxy-3-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one
CID 154581310
7-methoxy-3-[[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154581298
3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one
CID 117264303
7-methoxy-3-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154582908
3-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154581284
3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154581941
5-methyl-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126940731
7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154581868
3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942600
5-chloro-6-[4-[(7-methoxy-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 154581258

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 7-methoxy-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]quinazolin-4-one (CID 154883158) is 7-methoxy-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 7-methoxy-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 7-methoxy-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]quinazolin-4-one is COc1ccc2c(=O)n(CC3CCN(CCn4cccn4)CC3)cnc2c1.
What is the InChIKey of 7-methoxy-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]quinazolin-4-one?
The InChIKey is SDTJHLBHEZICOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-27-17-3-4-18-19(13-17)21-15-24(20(18)26)14-16-5-9-23(10-6-16)11-12-25-8-2-7-22-25/h2-4,7-8,13,15-16H,5-6,9-12,14H2,1H3.
What are the key properties of 7-methoxy-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]quinazolin-4-one?
7-methoxy-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]quinazolin-4-one has a molecular weight of 367.45 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 154883158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).