1-[4-[3-(1-quinazolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]ethanone

C23H19N5O — CID 58546764

IUPAC1-[4-[3-(1-quinazolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2nccnc2C2CN(c3ncc4ccccc4n3)C2)cc1
InChIInChI=1S/C23H19N5O/c1-15(29)16-6-8-17(9-7-16)21-22(25-11-10-24-21)19-13-28(14-19)23-26-12-18-4-2-3-5-20(18)27-23/h2-12,19H,13-14H2,1H3
InChIKeyRMSDWQMVCSUUKK-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.89
Rot. Bonds4

About 1-[4-[3-(1-quinazolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]ethanone

1-[4-[3-(1-quinazolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]ethanone (PubChem CID 58546764) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-[4-[3-(1-quinazolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(1-quinazolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]ethanone
PubChem CID58546764
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name1-[4-[3-(1-quinazolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2nccnc2C2CN(c3ncc4ccccc4n3)C2)cc1
InChIInChI=1S/C23H19N5O/c1-15(29)16-6-8-17(9-7-16)21-22(25-11-10-24-21)19-13-28(14-19)23-26-12-18-4-2-3-5-20(18)27-23/h2-12,19H,13-14H2,1H3
InChIKeyRMSDWQMVCSUUKK-UHFFFAOYSA-N
XLogP3.89
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1-quinazolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[3-(1-quinazolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]ethanone (CID 58546764) is 1-[4-[3-(1-quinazolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[3-(1-quinazolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[3-(1-quinazolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]ethanone is CC(=O)c1ccc(-c2nccnc2C2CN(c3ncc4ccccc4n3)C2)cc1.
What is the InChIKey of 1-[4-[3-(1-quinazolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]ethanone?
The InChIKey is RMSDWQMVCSUUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-15(29)16-6-8-17(9-7-16)21-22(25-11-10-24-21)19-13-28(14-19)23-26-12-18-4-2-3-5-20(18)27-23/h2-12,19H,13-14H2,1H3.
What are the key properties of 1-[4-[3-(1-quinazolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]ethanone?
1-[4-[3-(1-quinazolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]ethanone has a molecular weight of 381.44 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(1-quinazolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]ethanone is sourced from PubChem (CID 58546764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).