6-fluoro-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazolin-4-one

C18H18FN3OS — CID 137299508

IUPAC6-fluoro-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CCCN(Cc3cccs3)C2)nc2ccc(F)cc12
InChIInChI=1S/C18H18FN3OS/c19-13-5-6-16-15(9-13)18(23)21-17(20-16)12-3-1-7-22(10-12)11-14-4-2-8-24-14/h2,4-6,8-9,12H,1,3,7,10-11H2,(H,20,21,23)
InChIKeyLVJPJIRLPSNLLO-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.50
Rot. Bonds3

About 6-fluoro-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazolin-4-one

6-fluoro-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazolin-4-one (PubChem CID 137299508) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-fluoro-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazolin-4-one
PubChem CID137299508
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC Name6-fluoro-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CCCN(Cc3cccs3)C2)nc2ccc(F)cc12
InChIInChI=1S/C18H18FN3OS/c19-13-5-6-16-15(9-13)18(23)21-17(20-16)12-3-1-7-22(10-12)11-14-4-2-8-24-14/h2,4-6,8-9,12H,1,3,7,10-11H2,(H,20,21,23)
InChIKeyLVJPJIRLPSNLLO-UHFFFAOYSA-N
XLogP3.50
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]methyl]benzonitrile
CID 137298672
2-cyclopentyl-6-fluoro-3H-quinazolin-4-one
CID 137190164
3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidine
CID 45237286
6-(thiophene-2-carbonyl)-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796108
4-oxo-N-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazoline-2-carboxamide
CID 137225427
2-pyridin-4-yl-4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136673491
3-[[4-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]methyl]benzonitrile
CID 137298681
2-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]-6-(thiophen-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891310
1-methyl-6-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[5,4-b]pyridine
CID 125017357
2-pyridin-3-yl-4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136673524
5-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169148805
2-[1-(2-methylbutanoyl)piperidin-3-yl]-6-(thiophen-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796206

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazolin-4-one?
The IUPAC name of 6-fluoro-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazolin-4-one (CID 137299508) is 6-fluoro-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-fluoro-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazolin-4-one?
The canonical SMILES for 6-fluoro-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazolin-4-one is O=c1[nH]c(C2CCCN(Cc3cccs3)C2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazolin-4-one?
The InChIKey is LVJPJIRLPSNLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c19-13-5-6-16-15(9-13)18(23)21-17(20-16)12-3-1-7-22(10-12)11-14-4-2-8-24-14/h2,4-6,8-9,12H,1,3,7,10-11H2,(H,20,21,23).
What are the key properties of 6-fluoro-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazolin-4-one?
6-fluoro-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazolin-4-one has a molecular weight of 343.43 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 137299508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).