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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Related Compounds

6-[(5-chloro-2-pyridinyl)amino]-3,3-dimethyl-1,4-dihydroquinolin-2-one
CID 166667251
6-(1,3-benzoxazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinolin-2-one
CID 166667314
2-methyl-4-(quinoxalin-2-ylamino)benzoic acid
CID 62360974
4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-quinoxalin-2-ylbenzene-1,4-diamine
CID 108777589
N-[3,5-bis(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 59113307
N-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinoxalin-2-amine
CID 163970100
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]quinoxalin-2-amine
CID 99788867
N-[3-(aminomethyl)phenyl]quinoxalin-2-amine
CID 63767788
N-(4-bromophenyl)benzo[g]quinoxalin-3-amine
CID 70165769
N-naphthalen-2-ylpyrido[2,3-b]pyrazin-3-amine
CID 141174861
quinoxalin-2-ylhydrazine;hydrochloride
CID 18995251
6-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyridine-2-carbonitrile
CID 133392551

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).