[1-(5-fluoroquinazolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C18H21FN4O — CID 56816106

IUPAC[1-(5-fluoroquinazolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(c2ncnc3cccc(F)c23)CC1)N1CCCC1
InChIInChI=1S/C18H21FN4O/c19-14-4-3-5-15-16(14)17(21-12-20-15)22-10-6-13(7-11-22)18(24)23-8-1-2-9-23/h3-5,12-13H,1-2,6-11H2
InChIKeyYOFDFZCBGFJABH-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.61
Rot. Bonds2

About [1-(5-fluoroquinazolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(5-fluoroquinazolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56816106) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is [1-(5-fluoroquinazolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(5-fluoroquinazolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID56816106
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name[1-(5-fluoroquinazolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(c2ncnc3cccc(F)c23)CC1)N1CCCC1
InChIInChI=1S/C18H21FN4O/c19-14-4-3-5-15-16(14)17(21-12-20-15)22-10-6-13(7-11-22)18(24)23-8-1-2-9-23/h3-5,12-13H,1-2,6-11H2
InChIKeyYOFDFZCBGFJABH-UHFFFAOYSA-N
XLogP2.61
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 56816091
(3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide
CID 94519630
1-(5-fluoroquinazolin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 55855640
5-fluoro-4-(4-pyrimidin-2-yloxypiperidin-1-yl)quinazoline
CID 72881279
1-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-2-methoxyethanone
CID 56816161
4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-fluoroquinazoline
CID 55855492
[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286404
(4-benzylpiperidin-1-yl)-[1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]methanone
CID 20889867
5-fluoro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinazoline
CID 55853938
[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133408361
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222
(3S,4R)-3-[(2S)-1-(5-fluoroquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
CID 100684861

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoroquinazolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(5-fluoroquinazolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 56816106) is [1-(5-fluoroquinazolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(5-fluoroquinazolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(5-fluoroquinazolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(c2ncnc3cccc(F)c23)CC1)N1CCCC1.
What is the InChIKey of [1-(5-fluoroquinazolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YOFDFZCBGFJABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-14-4-3-5-15-16(14)17(21-12-20-15)22-10-6-13(7-11-22)18(24)23-8-1-2-9-23/h3-5,12-13H,1-2,6-11H2.
What are the key properties of [1-(5-fluoroquinazolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(5-fluoroquinazolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 328.39 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoroquinazolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56816106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).