N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methylquinoxalin-2-amine

C20H20F2N4O — CID 102557441

IUPACN-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NC1CCN(c2ccccc2OC(F)F)C1
InChIInChI=1S/C20H20F2N4O/c1-13-19(25-16-7-3-2-6-15(16)23-13)24-14-10-11-26(12-14)17-8-4-5-9-18(17)27-20(21)22/h2-9,14,20H,10-12H2,1H3,(H,24,25)
InChIKeyGFWVUGKMQVSFQJ-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.23
Rot. Bonds5

About N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methylquinoxalin-2-amine

N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methylquinoxalin-2-amine (PubChem CID 102557441) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methylquinoxalin-2-amine
PubChem CID102557441
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NC1CCN(c2ccccc2OC(F)F)C1
InChIInChI=1S/C20H20F2N4O/c1-13-19(25-16-7-3-2-6-15(16)23-13)24-14-10-11-26(12-14)17-8-4-5-9-18(17)27-20(21)22/h2-9,14,20H,10-12H2,1H3,(H,24,25)
InChIKeyGFWVUGKMQVSFQJ-UHFFFAOYSA-N
XLogP4.23
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methylquinoxalin-2-amine?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methylquinoxalin-2-amine (CID 102557441) is N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methylquinoxalin-2-amine.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methylquinoxalin-2-amine?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methylquinoxalin-2-amine is Cc1nc2ccccc2nc1NC1CCN(c2ccccc2OC(F)F)C1.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methylquinoxalin-2-amine?
The InChIKey is GFWVUGKMQVSFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c1-13-19(25-16-7-3-2-6-15(16)23-13)24-14-10-11-26(12-14)17-8-4-5-9-18(17)27-20(21)22/h2-9,14,20H,10-12H2,1H3,(H,24,25).
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methylquinoxalin-2-amine?
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methylquinoxalin-2-amine has a molecular weight of 370.40 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methylquinoxalin-2-amine is sourced from PubChem (CID 102557441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).