3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one

C20H21N5O2 — CID 138988468

IUPAC3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESCc1cnc(C(=O)N2CCC(Cn3cnc4ccccc4c3=O)CC2)cn1
InChIInChI=1S/C20H21N5O2/c1-14-10-22-18(11-21-14)20(27)24-8-6-15(7-9-24)12-25-13-23-17-5-3-2-4-16(17)19(25)26/h2-5,10-11,13,15H,6-9,12H2,1H3
InChIKeyKXDSPCDTLKINPZ-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.05
Rot. Bonds3

About 3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one

3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one (PubChem CID 138988468) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
PubChem CID138988468
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESCc1cnc(C(=O)N2CCC(Cn3cnc4ccccc4c3=O)CC2)cn1
InChIInChI=1S/C20H21N5O2/c1-14-10-22-18(11-21-14)20(27)24-8-6-15(7-9-24)12-25-13-23-17-5-3-2-4-16(17)19(25)26/h2-5,10-11,13,15H,6-9,12H2,1H3
InChIKeyKXDSPCDTLKINPZ-UHFFFAOYSA-N
XLogP2.05
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126940641
3-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 138989035
(5-methylpyrazin-2-yl)-[(3R)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124956263
3-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 138988371
2-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864315
3-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one
CID 138988736
3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941047
3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 139023691
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 113268934
3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154830140
3-[3-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 90566265
3-(cyclopropylmethyl)-7-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]quinazolin-4-one
CID 126897686

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one (CID 138988468) is 3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one is Cc1cnc(C(=O)N2CCC(Cn3cnc4ccccc4c3=O)CC2)cn1.
What is the InChIKey of 3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one?
The InChIKey is KXDSPCDTLKINPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14-10-22-18(11-21-14)20(27)24-8-6-15(7-9-24)12-25-13-23-17-5-3-2-4-16(17)19(25)26/h2-5,10-11,13,15H,6-9,12H2,1H3.
What are the key properties of 3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one?
3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one has a molecular weight of 363.42 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 138988468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).