(2S)-1-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]propan-2-ol

C15H20N4O — CID 99582304

IUPAC(2S)-1-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]propan-2-ol
SMILESC[C@H](O)CNc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C15H20N4O/c1-11(20)10-16-14-15(19-8-4-5-9-19)18-13-7-3-2-6-12(13)17-14/h2-3,6-7,11,20H,4-5,8-10H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyBZWKOZDVEIQDSR-NSHDSACASA-N
MW272.35 g/mol
LogP2.02
Rot. Bonds4

About (2S)-1-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]propan-2-ol

(2S)-1-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]propan-2-ol (PubChem CID 99582304) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2S)-1-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]propan-2-ol
PubChem CID99582304
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2S)-1-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]propan-2-ol
SMILESC[C@H](O)CNc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C15H20N4O/c1-11(20)10-16-14-15(19-8-4-5-9-19)18-13-7-3-2-6-12(13)17-14/h2-3,6-7,11,20H,4-5,8-10H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyBZWKOZDVEIQDSR-NSHDSACASA-N
XLogP2.02
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]propan-2-ol (CID 99582304) is (2S)-1-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]propan-2-ol is C[C@H](O)CNc1nc2ccccc2nc1N1CCCC1.
What is the InChIKey of (2S)-1-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]propan-2-ol?
The InChIKey is BZWKOZDVEIQDSR-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(20)10-16-14-15(19-8-4-5-9-19)18-13-7-3-2-6-12(13)17-14/h2-3,6-7,11,20H,4-5,8-10H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-1-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]propan-2-ol?
(2S)-1-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]propan-2-ol has a molecular weight of 272.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 99582304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).