6-fluoro-3-(3-methylpyrazin-2-yl)-2-[(E)-2-pyridin-2-ylethenyl]-3H-quinolin-4-one

C21H15FN4O — CID 18365092

IUPAC6-fluoro-3-(3-methylpyrazin-2-yl)-2-[(E)-2-pyridin-2-ylethenyl]-3H-quinolin-4-one
SMILESCc1nccnc1C1C(=O)c2cc(F)ccc2N=C1/C=C/c1ccccn1
InChIInChI=1S/C21H15FN4O/c1-13-20(25-11-10-23-13)19-18(8-6-15-4-2-3-9-24-15)26-17-7-5-14(22)12-16(17)21(19)27/h2-12,19H,1H3/b8-6+
InChIKeyLWKKOBRSWIUJEX-SOFGYWHQSA-N
MW358.38 g/mol
LogP4.09
Rot. Bonds3

About 6-fluoro-3-(3-methylpyrazin-2-yl)-2-[(E)-2-pyridin-2-ylethenyl]-3H-quinolin-4-one

6-fluoro-3-(3-methylpyrazin-2-yl)-2-[(E)-2-pyridin-2-ylethenyl]-3H-quinolin-4-one (PubChem CID 18365092) has the molecular formula C21H15FN4O and a molecular weight of 358.38 g/mol. Its IUPAC name is 6-fluoro-3-(3-methylpyrazin-2-yl)-2-[(E)-2-pyridin-2-ylethenyl]-3H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-(3-methylpyrazin-2-yl)-2-[(E)-2-pyridin-2-ylethenyl]-3H-quinolin-4-one
PubChem CID18365092
Molecular FormulaC21H15FN4O
Molecular Weight358.38 g/mol
Exact Mass358.12
IUPAC Name6-fluoro-3-(3-methylpyrazin-2-yl)-2-[(E)-2-pyridin-2-ylethenyl]-3H-quinolin-4-one
SMILESCc1nccnc1C1C(=O)c2cc(F)ccc2N=C1/C=C/c1ccccn1
InChIInChI=1S/C21H15FN4O/c1-13-20(25-11-10-23-13)19-18(8-6-15-4-2-3-9-24-15)26-17-7-5-14(22)12-16(17)21(19)27/h2-12,19H,1H3/b8-6+
InChIKeyLWKKOBRSWIUJEX-SOFGYWHQSA-N
XLogP4.09
TPSA68.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(3-methylpyrazin-2-yl)-2-[(E)-2-pyridin-2-ylethenyl]-3H-quinolin-4-one?
The IUPAC name of 6-fluoro-3-(3-methylpyrazin-2-yl)-2-[(E)-2-pyridin-2-ylethenyl]-3H-quinolin-4-one (CID 18365092) is 6-fluoro-3-(3-methylpyrazin-2-yl)-2-[(E)-2-pyridin-2-ylethenyl]-3H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-3-(3-methylpyrazin-2-yl)-2-[(E)-2-pyridin-2-ylethenyl]-3H-quinolin-4-one?
The canonical SMILES for 6-fluoro-3-(3-methylpyrazin-2-yl)-2-[(E)-2-pyridin-2-ylethenyl]-3H-quinolin-4-one is Cc1nccnc1C1C(=O)c2cc(F)ccc2N=C1/C=C/c1ccccn1.
What is the InChIKey of 6-fluoro-3-(3-methylpyrazin-2-yl)-2-[(E)-2-pyridin-2-ylethenyl]-3H-quinolin-4-one?
The InChIKey is LWKKOBRSWIUJEX-SOFGYWHQSA-N. The full InChI is InChI=1S/C21H15FN4O/c1-13-20(25-11-10-23-13)19-18(8-6-15-4-2-3-9-24-15)26-17-7-5-14(22)12-16(17)21(19)27/h2-12,19H,1H3/b8-6+.
What are the key properties of 6-fluoro-3-(3-methylpyrazin-2-yl)-2-[(E)-2-pyridin-2-ylethenyl]-3H-quinolin-4-one?
6-fluoro-3-(3-methylpyrazin-2-yl)-2-[(E)-2-pyridin-2-ylethenyl]-3H-quinolin-4-one has a molecular weight of 358.38 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(3-methylpyrazin-2-yl)-2-[(E)-2-pyridin-2-ylethenyl]-3H-quinolin-4-one is sourced from PubChem (CID 18365092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).