7-methoxy-3-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one

C19H21N5O2 — CID 154581150

IUPAC7-methoxy-3-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one
SMILESCOc1ccc2c(=O)n(CC3CCN(c4ncccn4)CC3)cnc2c1
InChIInChI=1S/C19H21N5O2/c1-26-15-3-4-16-17(11-15)22-13-24(18(16)25)12-14-5-9-23(10-6-14)19-20-7-2-8-21-19/h2-4,7-8,11,13-14H,5-6,9-10,12H2,1H3
InChIKeyKIZALLXXHBESFX-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.11
Rot. Bonds4

About 7-methoxy-3-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one

7-methoxy-3-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one (PubChem CID 154581150) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 7-methoxy-3-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-methoxy-3-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one
PubChem CID154581150
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name7-methoxy-3-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one
SMILESCOc1ccc2c(=O)n(CC3CCN(c4ncccn4)CC3)cnc2c1
InChIInChI=1S/C19H21N5O2/c1-26-15-3-4-16-17(11-15)22-13-24(18(16)25)12-14-5-9-23(10-6-14)19-20-7-2-8-21-19/h2-4,7-8,11,13-14H,5-6,9-10,12H2,1H3
InChIKeyKIZALLXXHBESFX-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 7-methoxy-3-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one?
The IUPAC name of 7-methoxy-3-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one (CID 154581150) is 7-methoxy-3-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 7-methoxy-3-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one?
The canonical SMILES for 7-methoxy-3-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one is COc1ccc2c(=O)n(CC3CCN(c4ncccn4)CC3)cnc2c1.
What is the InChIKey of 7-methoxy-3-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one?
The InChIKey is KIZALLXXHBESFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-26-15-3-4-16-17(11-15)22-13-24(18(16)25)12-14-5-9-23(10-6-14)19-20-7-2-8-21-19/h2-4,7-8,11,13-14H,5-6,9-10,12H2,1H3.
What are the key properties of 7-methoxy-3-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one?
7-methoxy-3-[(1-pyrimidin-2-ylpiperidin-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 7-methoxy-3-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 154581150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).