[2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanamine

C23H20FN5 — CID 150824984

IUPAC[2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanamine
SMILESNCc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)ccc1F
InChIInChI=1S/C23H20FN5/c24-19-7-5-16(11-17(19)12-25)22-23(27-10-9-26-22)18-13-29(14-18)21-8-6-15-3-1-2-4-20(15)28-21/h1-11,18H,12-14,25H2
InChIKeyKKSSNUSRCNFXLO-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.89
Rot. Bonds4

About [2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanamine

[2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanamine (PubChem CID 150824984) has the molecular formula C23H20FN5 and a molecular weight of 385.45 g/mol. Its IUPAC name is [2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanamine
PubChem CID150824984
Molecular FormulaC23H20FN5
Molecular Weight385.45 g/mol
Exact Mass385.17
IUPAC Name[2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanamine
SMILESNCc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)ccc1F
InChIInChI=1S/C23H20FN5/c24-19-7-5-16(11-17(19)12-25)22-23(27-10-9-26-22)18-13-29(14-18)21-8-6-15-3-1-2-4-20(15)28-21/h1-11,18H,12-14,25H2
InChIKeyKKSSNUSRCNFXLO-UHFFFAOYSA-N
XLogP3.89
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanamine?
The IUPAC name of [2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanamine (CID 150824984) is [2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanamine is NCc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)ccc1F.
What is the InChIKey of [2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanamine?
The InChIKey is KKSSNUSRCNFXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5/c24-19-7-5-16(11-17(19)12-25)22-23(27-10-9-26-22)18-13-29(14-18)21-8-6-15-3-1-2-4-20(15)28-21/h1-11,18H,12-14,25H2.
What are the key properties of [2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanamine?
[2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanamine has a molecular weight of 385.45 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanamine is sourced from PubChem (CID 150824984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).