N-(4-methoxy-2,2-dimethylbutyl)-3-pyrrolidin-1-ylquinoxalin-2-amine

C19H28N4O — CID 133466506

IUPACN-(4-methoxy-2,2-dimethylbutyl)-3-pyrrolidin-1-ylquinoxalin-2-amine
SMILESCOCCC(C)(C)CNc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C19H28N4O/c1-19(2,10-13-24-3)14-20-17-18(23-11-6-7-12-23)22-16-9-5-4-8-15(16)21-17/h4-5,8-9H,6-7,10-14H2,1-3H3,(H,20,21)
InChIKeyORIYJXAOYBZGHP-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.70
Rot. Bonds7

About N-(4-methoxy-2,2-dimethylbutyl)-3-pyrrolidin-1-ylquinoxalin-2-amine

N-(4-methoxy-2,2-dimethylbutyl)-3-pyrrolidin-1-ylquinoxalin-2-amine (PubChem CID 133466506) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(4-methoxy-2,2-dimethylbutyl)-3-pyrrolidin-1-ylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(4-methoxy-2,2-dimethylbutyl)-3-pyrrolidin-1-ylquinoxalin-2-amine
PubChem CID133466506
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-(4-methoxy-2,2-dimethylbutyl)-3-pyrrolidin-1-ylquinoxalin-2-amine
SMILESCOCCC(C)(C)CNc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C19H28N4O/c1-19(2,10-13-24-3)14-20-17-18(23-11-6-7-12-23)22-16-9-5-4-8-15(16)21-17/h4-5,8-9H,6-7,10-14H2,1-3H3,(H,20,21)
InChIKeyORIYJXAOYBZGHP-UHFFFAOYSA-N
XLogP3.70
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-3-pyrrolidin-1-ylquinoxalin-2-amine?
The IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-3-pyrrolidin-1-ylquinoxalin-2-amine (CID 133466506) is N-(4-methoxy-2,2-dimethylbutyl)-3-pyrrolidin-1-ylquinoxalin-2-amine.
What is the SMILES notation for N-(4-methoxy-2,2-dimethylbutyl)-3-pyrrolidin-1-ylquinoxalin-2-amine?
The canonical SMILES for N-(4-methoxy-2,2-dimethylbutyl)-3-pyrrolidin-1-ylquinoxalin-2-amine is COCCC(C)(C)CNc1nc2ccccc2nc1N1CCCC1.
What is the InChIKey of N-(4-methoxy-2,2-dimethylbutyl)-3-pyrrolidin-1-ylquinoxalin-2-amine?
The InChIKey is ORIYJXAOYBZGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-19(2,10-13-24-3)14-20-17-18(23-11-6-7-12-23)22-16-9-5-4-8-15(16)21-17/h4-5,8-9H,6-7,10-14H2,1-3H3,(H,20,21).
What are the key properties of N-(4-methoxy-2,2-dimethylbutyl)-3-pyrrolidin-1-ylquinoxalin-2-amine?
N-(4-methoxy-2,2-dimethylbutyl)-3-pyrrolidin-1-ylquinoxalin-2-amine has a molecular weight of 328.46 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,2-dimethylbutyl)-3-pyrrolidin-1-ylquinoxalin-2-amine is sourced from PubChem (CID 133466506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).