2-[4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-3-methylquinazolin-4-one

C19H23FN4O2 — CID 126899934

IUPAC2-[4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-3-methylquinazolin-4-one
SMILESCn1c(N2CCC(N3CC(CF)CC3=O)CC2)nc2ccccc2c1=O
InChIInChI=1S/C19H23FN4O2/c1-22-18(26)15-4-2-3-5-16(15)21-19(22)23-8-6-14(7-9-23)24-12-13(11-20)10-17(24)25/h2-5,13-14H,6-12H2,1H3
InChIKeyFUPGLABCDKMYPU-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.72
Rot. Bonds3

About 2-[4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-3-methylquinazolin-4-one

2-[4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-3-methylquinazolin-4-one (PubChem CID 126899934) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-[4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-3-methylquinazolin-4-one
PubChem CID126899934
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name2-[4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-3-methylquinazolin-4-one
SMILESCn1c(N2CCC(N3CC(CF)CC3=O)CC2)nc2ccccc2c1=O
InChIInChI=1S/C19H23FN4O2/c1-22-18(26)15-4-2-3-5-16(15)21-19(22)23-8-6-14(7-9-23)24-12-13(11-20)10-17(24)25/h2-5,13-14H,6-12H2,1H3
InChIKeyFUPGLABCDKMYPU-UHFFFAOYSA-N
XLogP1.72
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(fluoromethyl)-1-(1-quinoxalin-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 126899887
1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899745
4-(fluoromethyl)-1-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899891
4-(fluoromethyl)-1-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899802
3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951068
1-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899942
1-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one
CID 126900004
1-[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899704
2-[4-[(3,5-difluorophenyl)methyl]-3-methylpiperazin-1-yl]-3-methylquinazolin-4-one
CID 163357216
3-methyl-2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]quinazolin-4-one
CID 126887882
1-(1-methylbenzimidazol-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670786
2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-3-methylquinazolin-4-one
CID 163349539

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-3-methylquinazolin-4-one (CID 126899934) is 2-[4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-3-methylquinazolin-4-one is Cn1c(N2CCC(N3CC(CF)CC3=O)CC2)nc2ccccc2c1=O.
What is the InChIKey of 2-[4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-3-methylquinazolin-4-one?
The InChIKey is FUPGLABCDKMYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-22-18(26)15-4-2-3-5-16(15)21-19(22)23-8-6-14(7-9-23)24-12-13(11-20)10-17(24)25/h2-5,13-14H,6-12H2,1H3.
What are the key properties of 2-[4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-3-methylquinazolin-4-one?
2-[4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-3-methylquinazolin-4-one has a molecular weight of 358.42 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-3-methylquinazolin-4-one is sourced from PubChem (CID 126899934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).