8-methyl-4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinazoline

C19H25N3O2 — CID 133453289

IUPAC8-methyl-4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinazoline
SMILESCc1cccc2c(N3CCC(OCC4CCOC4)CC3)ncnc12
InChIInChI=1S/C19H25N3O2/c1-14-3-2-4-17-18(14)20-13-21-19(17)22-8-5-16(6-9-22)24-12-15-7-10-23-11-15/h2-4,13,15-16H,5-12H2,1H3
InChIKeyZDDYXCMWMIIQEI-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.96
Rot. Bonds4

About 8-methyl-4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinazoline

8-methyl-4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinazoline (PubChem CID 133453289) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 8-methyl-4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinazoline.

Molecular Properties

Compound Name8-methyl-4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinazoline
PubChem CID133453289
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name8-methyl-4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinazoline
SMILESCc1cccc2c(N3CCC(OCC4CCOC4)CC3)ncnc12
InChIInChI=1S/C19H25N3O2/c1-14-3-2-4-17-18(14)20-13-21-19(17)22-8-5-16(6-9-22)24-12-15-7-10-23-11-15/h2-4,13,15-16H,5-12H2,1H3
InChIKeyZDDYXCMWMIIQEI-UHFFFAOYSA-N
XLogP2.96
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinazoline?
The IUPAC name of 8-methyl-4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinazoline (CID 133453289) is 8-methyl-4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinazoline.
What is the SMILES notation for 8-methyl-4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinazoline?
The canonical SMILES for 8-methyl-4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinazoline is Cc1cccc2c(N3CCC(OCC4CCOC4)CC3)ncnc12.
What is the InChIKey of 8-methyl-4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinazoline?
The InChIKey is ZDDYXCMWMIIQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-3-2-4-17-18(14)20-13-21-19(17)22-8-5-16(6-9-22)24-12-15-7-10-23-11-15/h2-4,13,15-16H,5-12H2,1H3.
What are the key properties of 8-methyl-4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinazoline?
8-methyl-4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinazoline has a molecular weight of 327.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinazoline is sourced from PubChem (CID 133453289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).