3-fluoro-3-methyl-6-(quinoxalin-2-ylamino)-1,4-dihydroquinolin-2-one

C18H15FN4O — CID 166091509

IUPAC3-fluoro-3-methyl-6-(quinoxalin-2-ylamino)-1,4-dihydroquinolin-2-one
SMILESCC1(F)Cc2cc(Nc3cnc4ccccc4n3)ccc2NC1=O
InChIInChI=1S/C18H15FN4O/c1-18(19)9-11-8-12(6-7-13(11)23-17(18)24)21-16-10-20-14-4-2-3-5-15(14)22-16/h2-8,10H,9H2,1H3,(H,21,22)(H,23,24)
InChIKeyQLASFNIARGGVQK-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.60
Rot. Bonds2

About 3-fluoro-3-methyl-6-(quinoxalin-2-ylamino)-1,4-dihydroquinolin-2-one

3-fluoro-3-methyl-6-(quinoxalin-2-ylamino)-1,4-dihydroquinolin-2-one (PubChem CID 166091509) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 3-fluoro-3-methyl-6-(quinoxalin-2-ylamino)-1,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name3-fluoro-3-methyl-6-(quinoxalin-2-ylamino)-1,4-dihydroquinolin-2-one
PubChem CID166091509
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name3-fluoro-3-methyl-6-(quinoxalin-2-ylamino)-1,4-dihydroquinolin-2-one
SMILESCC1(F)Cc2cc(Nc3cnc4ccccc4n3)ccc2NC1=O
InChIInChI=1S/C18H15FN4O/c1-18(19)9-11-8-12(6-7-13(11)23-17(18)24)21-16-10-20-14-4-2-3-5-15(14)22-16/h2-8,10H,9H2,1H3,(H,21,22)(H,23,24)
InChIKeyQLASFNIARGGVQK-UHFFFAOYSA-N
XLogP3.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-6-(quinoxalin-2-ylamino)-1,4-dihydroquinolin-2-one?
The IUPAC name of 3-fluoro-3-methyl-6-(quinoxalin-2-ylamino)-1,4-dihydroquinolin-2-one (CID 166091509) is 3-fluoro-3-methyl-6-(quinoxalin-2-ylamino)-1,4-dihydroquinolin-2-one.
What is the SMILES notation for 3-fluoro-3-methyl-6-(quinoxalin-2-ylamino)-1,4-dihydroquinolin-2-one?
The canonical SMILES for 3-fluoro-3-methyl-6-(quinoxalin-2-ylamino)-1,4-dihydroquinolin-2-one is CC1(F)Cc2cc(Nc3cnc4ccccc4n3)ccc2NC1=O.
What is the InChIKey of 3-fluoro-3-methyl-6-(quinoxalin-2-ylamino)-1,4-dihydroquinolin-2-one?
The InChIKey is QLASFNIARGGVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-18(19)9-11-8-12(6-7-13(11)23-17(18)24)21-16-10-20-14-4-2-3-5-15(14)22-16/h2-8,10H,9H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-fluoro-3-methyl-6-(quinoxalin-2-ylamino)-1,4-dihydroquinolin-2-one?
3-fluoro-3-methyl-6-(quinoxalin-2-ylamino)-1,4-dihydroquinolin-2-one has a molecular weight of 322.34 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-6-(quinoxalin-2-ylamino)-1,4-dihydroquinolin-2-one is sourced from PubChem (CID 166091509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).