N-cyclopropyl-6,7-difluoro-N-(oxolan-3-ylmethyl)quinoxalin-2-amine

C16H17F2N3O — CID 75523756

IUPACN-cyclopropyl-6,7-difluoro-N-(oxolan-3-ylmethyl)quinoxalin-2-amine
SMILESFc1cc2ncc(N(CC3CCOC3)C3CC3)nc2cc1F
InChIInChI=1S/C16H17F2N3O/c17-12-5-14-15(6-13(12)18)20-16(7-19-14)21(11-1-2-11)8-10-3-4-22-9-10/h5-7,10-11H,1-4,8-9H2
InChIKeySRZUEQQYCPZNCH-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.91
Rot. Bonds4

About N-cyclopropyl-6,7-difluoro-N-(oxolan-3-ylmethyl)quinoxalin-2-amine

N-cyclopropyl-6,7-difluoro-N-(oxolan-3-ylmethyl)quinoxalin-2-amine (PubChem CID 75523756) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is N-cyclopropyl-6,7-difluoro-N-(oxolan-3-ylmethyl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-6,7-difluoro-N-(oxolan-3-ylmethyl)quinoxalin-2-amine
PubChem CID75523756
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC NameN-cyclopropyl-6,7-difluoro-N-(oxolan-3-ylmethyl)quinoxalin-2-amine
SMILESFc1cc2ncc(N(CC3CCOC3)C3CC3)nc2cc1F
InChIInChI=1S/C16H17F2N3O/c17-12-5-14-15(6-13(12)18)20-16(7-19-14)21(11-1-2-11)8-10-3-4-22-9-10/h5-7,10-11H,1-4,8-9H2
InChIKeySRZUEQQYCPZNCH-UHFFFAOYSA-N
XLogP2.91
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6,7-difluoro-N-(oxolan-3-ylmethyl)quinoxalin-2-amine?
The IUPAC name of N-cyclopropyl-6,7-difluoro-N-(oxolan-3-ylmethyl)quinoxalin-2-amine (CID 75523756) is N-cyclopropyl-6,7-difluoro-N-(oxolan-3-ylmethyl)quinoxalin-2-amine.
What is the SMILES notation for N-cyclopropyl-6,7-difluoro-N-(oxolan-3-ylmethyl)quinoxalin-2-amine?
The canonical SMILES for N-cyclopropyl-6,7-difluoro-N-(oxolan-3-ylmethyl)quinoxalin-2-amine is Fc1cc2ncc(N(CC3CCOC3)C3CC3)nc2cc1F.
What is the InChIKey of N-cyclopropyl-6,7-difluoro-N-(oxolan-3-ylmethyl)quinoxalin-2-amine?
The InChIKey is SRZUEQQYCPZNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O/c17-12-5-14-15(6-13(12)18)20-16(7-19-14)21(11-1-2-11)8-10-3-4-22-9-10/h5-7,10-11H,1-4,8-9H2.
What are the key properties of N-cyclopropyl-6,7-difluoro-N-(oxolan-3-ylmethyl)quinoxalin-2-amine?
N-cyclopropyl-6,7-difluoro-N-(oxolan-3-ylmethyl)quinoxalin-2-amine has a molecular weight of 305.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6,7-difluoro-N-(oxolan-3-ylmethyl)quinoxalin-2-amine is sourced from PubChem (CID 75523756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).