3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one

C19H21N5O2 — CID 154830140

IUPAC3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESCOc1nccnc1N1CCC(Cn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C19H21N5O2/c1-26-18-17(20-8-9-21-18)23-10-6-14(7-11-23)12-24-13-22-16-5-3-2-4-15(16)19(24)25/h2-5,8-9,13-14H,6-7,10-12H2,1H3
InChIKeyRDMKYCOOPBBXAV-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.11
Rot. Bonds4

About 3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one

3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one (PubChem CID 154830140) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
PubChem CID154830140
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESCOc1nccnc1N1CCC(Cn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C19H21N5O2/c1-26-18-17(20-8-9-21-18)23-10-6-14(7-11-23)12-24-13-22-16-5-3-2-4-15(16)19(24)25/h2-5,8-9,13-14H,6-7,10-12H2,1H3
InChIKeyRDMKYCOOPBBXAV-UHFFFAOYSA-N
XLogP2.11
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one (CID 154830140) is 3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one is COc1nccnc1N1CCC(Cn2cnc3ccccc3c2=O)CC1.
What is the InChIKey of 3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one?
The InChIKey is RDMKYCOOPBBXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-26-18-17(20-8-9-21-18)23-10-6-14(7-11-23)12-24-13-22-16-5-3-2-4-15(16)19(24)25/h2-5,8-9,13-14H,6-7,10-12H2,1H3.
What are the key properties of 3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one?
3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one has a molecular weight of 351.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 154830140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).