7-fluoro-3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one

C20H22FN5O3 — CID 146080719

IUPAC7-fluoro-3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESCOc1nn(C)cc1C(=O)N1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1
InChIInChI=1S/C20H22FN5O3/c1-24-11-16(18(23-24)29-2)20(28)25-7-5-13(6-8-25)10-26-12-22-17-9-14(21)3-4-15(17)19(26)27/h3-4,9,11-13H,5-8,10H2,1-2H3
InChIKeyNPXPWGQFLWEUCH-UHFFFAOYSA-N
MW399.43 g/mol
LogP1.83
Rot. Bonds4

About 7-fluoro-3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one

7-fluoro-3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one (PubChem CID 146080719) has the molecular formula C20H22FN5O3 and a molecular weight of 399.43 g/mol. Its IUPAC name is 7-fluoro-3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
PubChem CID146080719
Molecular FormulaC20H22FN5O3
Molecular Weight399.43 g/mol
Exact Mass399.17
IUPAC Name7-fluoro-3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESCOc1nn(C)cc1C(=O)N1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1
InChIInChI=1S/C20H22FN5O3/c1-24-11-16(18(23-24)29-2)20(28)25-7-5-13(6-8-25)10-26-12-22-17-9-14(21)3-4-15(17)19(26)27/h3-4,9,11-13H,5-8,10H2,1-2H3
InChIKeyNPXPWGQFLWEUCH-UHFFFAOYSA-N
XLogP1.83
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-fluoro-3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one with MolForge

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Related Compounds

3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940597
7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154581868
7-fluoro-3-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 146078003
3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154582915
7-fluoro-3-[[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 146079002
3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154581941
ethyl 1-[2-(7-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxylate
CID 40743560
7-fluoro-3-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]quinazolin-4-one
CID 146078879
2-[4-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 163345436
7-fluoro-3-[[1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154581294
7-fluoro-3-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]quinazolin-4-one
CID 146079957
7-fluoro-3-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one
CID 146079251

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one (CID 146080719) is 7-fluoro-3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one is COc1nn(C)cc1C(=O)N1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1.
What is the InChIKey of 7-fluoro-3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one?
The InChIKey is NPXPWGQFLWEUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O3/c1-24-11-16(18(23-24)29-2)20(28)25-7-5-13(6-8-25)10-26-12-22-17-9-14(21)3-4-15(17)19(26)27/h3-4,9,11-13H,5-8,10H2,1-2H3.
What are the key properties of 7-fluoro-3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one?
7-fluoro-3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one has a molecular weight of 399.43 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 146080719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).