2-methyl-3-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinoxaline

C19H20N4O — CID 72706474

IUPAC2-methyl-3-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinoxaline
SMILESCc1nc2ccccc2nc1OCc1cccc(N2CCCC2)n1
InChIInChI=1S/C19H20N4O/c1-14-19(22-17-9-3-2-8-16(17)20-14)24-13-15-7-6-10-18(21-15)23-11-4-5-12-23/h2-3,6-10H,4-5,11-13H2,1H3
InChIKeyUZKINHOYKKXGEP-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.51
Rot. Bonds4

About 2-methyl-3-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinoxaline

2-methyl-3-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinoxaline (PubChem CID 72706474) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-methyl-3-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinoxaline.

Molecular Properties

Compound Name2-methyl-3-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinoxaline
PubChem CID72706474
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-methyl-3-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinoxaline
SMILESCc1nc2ccccc2nc1OCc1cccc(N2CCCC2)n1
InChIInChI=1S/C19H20N4O/c1-14-19(22-17-9-3-2-8-16(17)20-14)24-13-15-7-6-10-18(21-15)23-11-4-5-12-23/h2-3,6-10H,4-5,11-13H2,1H3
InChIKeyUZKINHOYKKXGEP-UHFFFAOYSA-N
XLogP3.51
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinoxaline?
The IUPAC name of 2-methyl-3-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinoxaline (CID 72706474) is 2-methyl-3-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinoxaline.
What is the SMILES notation for 2-methyl-3-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinoxaline?
The canonical SMILES for 2-methyl-3-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinoxaline is Cc1nc2ccccc2nc1OCc1cccc(N2CCCC2)n1.
What is the InChIKey of 2-methyl-3-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinoxaline?
The InChIKey is UZKINHOYKKXGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-19(22-17-9-3-2-8-16(17)20-14)24-13-15-7-6-10-18(21-15)23-11-4-5-12-23/h2-3,6-10H,4-5,11-13H2,1H3.
What are the key properties of 2-methyl-3-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinoxaline?
2-methyl-3-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinoxaline has a molecular weight of 320.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinoxaline is sourced from PubChem (CID 72706474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).