(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-3-pyridinyl)methanone

C18H20FN3O — CID 146089015

IUPAC(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-3-pyridinyl)methanone
SMILESCCCN1CCN(C(=O)c2ccc(C)nc2)c2cc(F)ccc21
InChIInChI=1S/C18H20FN3O/c1-3-8-21-9-10-22(17-11-15(19)6-7-16(17)21)18(23)14-5-4-13(2)20-12-14/h4-7,11-12H,3,8-10H2,1-2H3
InChIKeyDSWLRVWSZHPGKC-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.41
Rot. Bonds3

About (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-3-pyridinyl)methanone

(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-3-pyridinyl)methanone (PubChem CID 146089015) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-3-pyridinyl)methanone
PubChem CID146089015
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-3-pyridinyl)methanone
SMILESCCCN1CCN(C(=O)c2ccc(C)nc2)c2cc(F)ccc21
InChIInChI=1S/C18H20FN3O/c1-3-8-21-9-10-22(17-11-15(19)6-7-16(17)21)18(23)14-5-4-13(2)20-12-14/h4-7,11-12H,3,8-10H2,1-2H3
InChIKeyDSWLRVWSZHPGKC-UHFFFAOYSA-N
XLogP3.41
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-pyrazolo[4,5-b]pyridin-1-ylethanone
CID 146148610
(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 86819215
(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(1-methylsulfonylcyclobutyl)methanone
CID 136539387
1-[(3S)-3-(7-fluoro-4-propyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone
CID 99793533
(6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103718991
(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-[6-(dimethylamino)-3-pyridinyl]methanone
CID 146090321
(6-methyl-3-pyridinyl)-(4-propyl-1,4-diazepan-1-yl)methanone
CID 56822431
N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-6-methylpyridine-3-carboxamide
CID 95689792
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 30290633
(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(6-methyl-3-pyridinyl)methanone
CID 18153299
N-(3-cyanothiophen-2-yl)-2-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)acetamide
CID 100716129
4-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid
CID 119994278

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-3-pyridinyl)methanone (CID 146089015) is (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-3-pyridinyl)methanone is CCCN1CCN(C(=O)c2ccc(C)nc2)c2cc(F)ccc21.
What is the InChIKey of (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-3-pyridinyl)methanone?
The InChIKey is DSWLRVWSZHPGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-3-8-21-9-10-22(17-11-15(19)6-7-16(17)21)18(23)14-5-4-13(2)20-12-14/h4-7,11-12H,3,8-10H2,1-2H3.
What are the key properties of (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-3-pyridinyl)methanone?
(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-3-pyridinyl)methanone has a molecular weight of 313.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 146089015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).