2-[3-(cyclopropylamino)-6-fluoro-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one

C19H18FN5O — CID 78162333

IUPAC2-[3-(cyclopropylamino)-6-fluoro-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
SMILESCc1nc2ccc(F)c(-c3cc4c([nH]3)C(C)NC4=O)c2nc1NC1CC1
InChIInChI=1S/C19H18FN5O/c1-8-16-11(19(26)22-8)7-14(24-16)15-12(20)5-6-13-17(15)25-18(9(2)21-13)23-10-3-4-10/h5-8,10,24H,3-4H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyHLHMJLDIMHYLRF-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.45
Rot. Bonds3

About 2-[3-(cyclopropylamino)-6-fluoro-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one

2-[3-(cyclopropylamino)-6-fluoro-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one (PubChem CID 78162333) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)-6-fluoro-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)-6-fluoro-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
PubChem CID78162333
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name2-[3-(cyclopropylamino)-6-fluoro-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
SMILESCc1nc2ccc(F)c(-c3cc4c([nH]3)C(C)NC4=O)c2nc1NC1CC1
InChIInChI=1S/C19H18FN5O/c1-8-16-11(19(26)22-8)7-14(24-16)15-12(20)5-6-13-17(15)25-18(9(2)21-13)23-10-3-4-10/h5-8,10,24H,3-4H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyHLHMJLDIMHYLRF-UHFFFAOYSA-N
XLogP3.45
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylamino)-6-fluoro-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?
The IUPAC name of 2-[3-(cyclopropylamino)-6-fluoro-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one (CID 78162333) is 2-[3-(cyclopropylamino)-6-fluoro-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one.
What is the SMILES notation for 2-[3-(cyclopropylamino)-6-fluoro-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?
The canonical SMILES for 2-[3-(cyclopropylamino)-6-fluoro-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one is Cc1nc2ccc(F)c(-c3cc4c([nH]3)C(C)NC4=O)c2nc1NC1CC1.
What is the InChIKey of 2-[3-(cyclopropylamino)-6-fluoro-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?
The InChIKey is HLHMJLDIMHYLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-8-16-11(19(26)22-8)7-14(24-16)15-12(20)5-6-13-17(15)25-18(9(2)21-13)23-10-3-4-10/h5-8,10,24H,3-4H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 2-[3-(cyclopropylamino)-6-fluoro-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?
2-[3-(cyclopropylamino)-6-fluoro-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one has a molecular weight of 351.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylamino)-6-fluoro-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one is sourced from PubChem (CID 78162333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).