4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline

C15H23N3 — CID 54961069

IUPAC4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline
SMILESc1ccc2c(c1)NCCN2CCCN1CCCC1
InChIInChI=1S/C15H23N3/c1-2-7-15-14(6-1)16-8-13-18(15)12-5-11-17-9-3-4-10-17/h1-2,6-7,16H,3-5,8-13H2
InChIKeyKMCUCAVQUUFXBE-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.40
Rot. Bonds4

About 4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline

4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline (PubChem CID 54961069) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline
PubChem CID54961069
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline
SMILESc1ccc2c(c1)NCCN2CCCN1CCCC1
InChIInChI=1S/C15H23N3/c1-2-7-15-14(6-1)16-8-13-18(15)12-5-11-17-9-3-4-10-17/h1-2,6-7,16H,3-5,8-13H2
InChIKeyKMCUCAVQUUFXBE-UHFFFAOYSA-N
XLogP2.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline (CID 54961069) is 4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline is c1ccc2c(c1)NCCN2CCCN1CCCC1.
What is the InChIKey of 4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline?
The InChIKey is KMCUCAVQUUFXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-7-15-14(6-1)16-8-13-18(15)12-5-11-17-9-3-4-10-17/h1-2,6-7,16H,3-5,8-13H2.
What are the key properties of 4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline?
4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline has a molecular weight of 245.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 54961069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).