N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methylquinoxalin-2-amine

C19H17F2N3O — CID 133435264

IUPACN-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NC1CCOC1c1ccc(F)c(F)c1
InChIInChI=1S/C19H17F2N3O/c1-11-19(23-16-5-3-2-4-15(16)22-11)24-17-8-9-25-18(17)12-6-7-13(20)14(21)10-12/h2-7,10,17-18H,8-9H2,1H3,(H,23,24)
InChIKeyIKGUMAHPXAQPOM-UHFFFAOYSA-N
MW341.36 g/mol
LogP4.16
Rot. Bonds3

About N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methylquinoxalin-2-amine

N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methylquinoxalin-2-amine (PubChem CID 133435264) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methylquinoxalin-2-amine
PubChem CID133435264
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC NameN-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NC1CCOC1c1ccc(F)c(F)c1
InChIInChI=1S/C19H17F2N3O/c1-11-19(23-16-5-3-2-4-15(16)22-11)24-17-8-9-25-18(17)12-6-7-13(20)14(21)10-12/h2-7,10,17-18H,8-9H2,1H3,(H,23,24)
InChIKeyIKGUMAHPXAQPOM-UHFFFAOYSA-N
XLogP4.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methylquinoxalin-2-amine?
The IUPAC name of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methylquinoxalin-2-amine (CID 133435264) is N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methylquinoxalin-2-amine.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methylquinoxalin-2-amine?
The canonical SMILES for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methylquinoxalin-2-amine is Cc1nc2ccccc2nc1NC1CCOC1c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methylquinoxalin-2-amine?
The InChIKey is IKGUMAHPXAQPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c1-11-19(23-16-5-3-2-4-15(16)22-11)24-17-8-9-25-18(17)12-6-7-13(20)14(21)10-12/h2-7,10,17-18H,8-9H2,1H3,(H,23,24).
What are the key properties of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methylquinoxalin-2-amine?
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methylquinoxalin-2-amine has a molecular weight of 341.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methylquinoxalin-2-amine is sourced from PubChem (CID 133435264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).