7-fluoro-3-[[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]methyl]quinazolin-4-one

C21H21FN4O2 — CID 146079002

IUPAC7-fluoro-3-[[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESO=C(Cc1cccnc1)N1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1
InChIInChI=1S/C21H21FN4O2/c22-17-3-4-18-19(11-17)24-14-26(21(18)28)13-15-5-8-25(9-6-15)20(27)10-16-2-1-7-23-12-16/h1-4,7,11-12,14-15H,5-6,8-10,13H2
InChIKeyRZMOJSJZNXPHTO-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.41
Rot. Bonds4

About 7-fluoro-3-[[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]methyl]quinazolin-4-one

7-fluoro-3-[[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]methyl]quinazolin-4-one (PubChem CID 146079002) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 7-fluoro-3-[[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]methyl]quinazolin-4-one
PubChem CID146079002
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name7-fluoro-3-[[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESO=C(Cc1cccnc1)N1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1
InChIInChI=1S/C21H21FN4O2/c22-17-3-4-18-19(11-17)24-14-26(21(18)28)13-15-5-8-25(9-6-15)20(27)10-16-2-1-7-23-12-16/h1-4,7,11-12,14-15H,5-6,8-10,13H2
InChIKeyRZMOJSJZNXPHTO-UHFFFAOYSA-N
XLogP2.41
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-3-[[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]methyl]quinazolin-4-one with MolForge

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Related Compounds

7-fluoro-3-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 146078003
7-fluoro-3-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one
CID 146079251
7-fluoro-3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 146080719
7-ethyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 142552008
ethyl 1-[2-(7-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxylate
CID 40743560
2-[4-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 163345436
1-[4-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-1-yl]-2-pyridin-3-ylethanone;oxalic acid
CID 123138681
3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154581941
2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151002
7-fluoro-3-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]quinazolin-4-one
CID 146078879
2-(4-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151003
7-chloro-3-[[1-[(3S)-4-hydroxy-3-phenylbutanoyl]piperidin-4-yl]methyl]quinazolin-4-one
CID 138506180

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]methyl]quinazolin-4-one (CID 146079002) is 7-fluoro-3-[[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]methyl]quinazolin-4-one is O=C(Cc1cccnc1)N1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1.
What is the InChIKey of 7-fluoro-3-[[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]methyl]quinazolin-4-one?
The InChIKey is RZMOJSJZNXPHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-17-3-4-18-19(11-17)24-14-26(21(18)28)13-15-5-8-25(9-6-15)20(27)10-16-2-1-7-23-12-16/h1-4,7,11-12,14-15H,5-6,8-10,13H2.
What are the key properties of 7-fluoro-3-[[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]methyl]quinazolin-4-one?
7-fluoro-3-[[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]methyl]quinazolin-4-one has a molecular weight of 380.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 146079002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).