4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrrolidin-2-one

C18H25FN4O — CID 126899905

IUPAC4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(c2ncnc3c2CCCC3)CC1
InChIInChI=1S/C18H25FN4O/c19-10-13-9-17(24)23(11-13)14-5-7-22(8-6-14)18-15-3-1-2-4-16(15)20-12-21-18/h12-14H,1-11H2
InChIKeySWRXKOCJGPISCD-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.14
Rot. Bonds3

About 4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrrolidin-2-one

4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899905) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899905
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(c2ncnc3c2CCCC3)CC1
InChIInChI=1S/C18H25FN4O/c19-10-13-9-17(24)23(11-13)14-5-7-22(8-6-14)18-15-3-1-2-4-16(15)20-12-21-18/h12-14H,1-11H2
InChIKeySWRXKOCJGPISCD-UHFFFAOYSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrrolidin-2-one (CID 126899905) is 4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrrolidin-2-one is O=C1CC(CF)CN1C1CCN(c2ncnc3c2CCCC3)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is SWRXKOCJGPISCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c19-10-13-9-17(24)23(11-13)14-5-7-22(8-6-14)18-15-3-1-2-4-16(15)20-12-21-18/h12-14H,1-11H2.
What are the key properties of 4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 332.42 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).