1-cyclopropyl-2-[7-[6-[(1-fluorocyclobutyl)methylamino]pyrazin-2-yl]quinazolin-2-yl]ethanone

C22H22FN5O — CID 158822930

IUPAC1-cyclopropyl-2-[7-[6-[(1-fluorocyclobutyl)methylamino]pyrazin-2-yl]quinazolin-2-yl]ethanone
SMILESO=C(Cc1ncc2ccc(-c3cncc(NCC4(F)CCC4)n3)cc2n1)C1CC1
InChIInChI=1S/C22H22FN5O/c23-22(6-1-7-22)13-26-21-12-24-11-18(28-21)15-4-5-16-10-25-20(27-17(16)8-15)9-19(29)14-2-3-14/h4-5,8,10-12,14H,1-3,6-7,9,13H2,(H,26,28)
InChIKeyIWCDPXJPXUTGCY-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.91
Rot. Bonds7

About 1-cyclopropyl-2-[7-[6-[(1-fluorocyclobutyl)methylamino]pyrazin-2-yl]quinazolin-2-yl]ethanone

1-cyclopropyl-2-[7-[6-[(1-fluorocyclobutyl)methylamino]pyrazin-2-yl]quinazolin-2-yl]ethanone (PubChem CID 158822930) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is 1-cyclopropyl-2-[7-[6-[(1-fluorocyclobutyl)methylamino]pyrazin-2-yl]quinazolin-2-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[7-[6-[(1-fluorocyclobutyl)methylamino]pyrazin-2-yl]quinazolin-2-yl]ethanone
PubChem CID158822930
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name1-cyclopropyl-2-[7-[6-[(1-fluorocyclobutyl)methylamino]pyrazin-2-yl]quinazolin-2-yl]ethanone
SMILESO=C(Cc1ncc2ccc(-c3cncc(NCC4(F)CCC4)n3)cc2n1)C1CC1
InChIInChI=1S/C22H22FN5O/c23-22(6-1-7-22)13-26-21-12-24-11-18(28-21)15-4-5-16-10-25-20(27-17(16)8-15)9-19(29)14-2-3-14/h4-5,8,10-12,14H,1-3,6-7,9,13H2,(H,26,28)
InChIKeyIWCDPXJPXUTGCY-UHFFFAOYSA-N
XLogP3.91
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[7-[6-[(1-fluorocyclobutyl)methylamino]pyrazin-2-yl]quinazolin-2-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[7-[6-[(1-fluorocyclobutyl)methylamino]pyrazin-2-yl]quinazolin-2-yl]ethanone (CID 158822930) is 1-cyclopropyl-2-[7-[6-[(1-fluorocyclobutyl)methylamino]pyrazin-2-yl]quinazolin-2-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[7-[6-[(1-fluorocyclobutyl)methylamino]pyrazin-2-yl]quinazolin-2-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[7-[6-[(1-fluorocyclobutyl)methylamino]pyrazin-2-yl]quinazolin-2-yl]ethanone is O=C(Cc1ncc2ccc(-c3cncc(NCC4(F)CCC4)n3)cc2n1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[7-[6-[(1-fluorocyclobutyl)methylamino]pyrazin-2-yl]quinazolin-2-yl]ethanone?
The InChIKey is IWCDPXJPXUTGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c23-22(6-1-7-22)13-26-21-12-24-11-18(28-21)15-4-5-16-10-25-20(27-17(16)8-15)9-19(29)14-2-3-14/h4-5,8,10-12,14H,1-3,6-7,9,13H2,(H,26,28).
What are the key properties of 1-cyclopropyl-2-[7-[6-[(1-fluorocyclobutyl)methylamino]pyrazin-2-yl]quinazolin-2-yl]ethanone?
1-cyclopropyl-2-[7-[6-[(1-fluorocyclobutyl)methylamino]pyrazin-2-yl]quinazolin-2-yl]ethanone has a molecular weight of 391.45 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[7-[6-[(1-fluorocyclobutyl)methylamino]pyrazin-2-yl]quinazolin-2-yl]ethanone is sourced from PubChem (CID 158822930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).