2-(furan-2-yl)-1-[(3-methylquinoxalin-2-yl)amino]propan-2-ol

C16H17N3O2 — CID 133323807

IUPAC2-(furan-2-yl)-1-[(3-methylquinoxalin-2-yl)amino]propan-2-ol
SMILESCc1nc2ccccc2nc1NCC(C)(O)c1ccco1
InChIInChI=1S/C16H17N3O2/c1-11-15(19-13-7-4-3-6-12(13)18-11)17-10-16(2,20)14-8-5-9-21-14/h3-9,20H,10H2,1-2H3,(H,17,19)
InChIKeyDYHYQMZCJGLHJO-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.85
Rot. Bonds4

About 2-(furan-2-yl)-1-[(3-methylquinoxalin-2-yl)amino]propan-2-ol

2-(furan-2-yl)-1-[(3-methylquinoxalin-2-yl)amino]propan-2-ol (PubChem CID 133323807) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-[(3-methylquinoxalin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-(furan-2-yl)-1-[(3-methylquinoxalin-2-yl)amino]propan-2-ol
PubChem CID133323807
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(furan-2-yl)-1-[(3-methylquinoxalin-2-yl)amino]propan-2-ol
SMILESCc1nc2ccccc2nc1NCC(C)(O)c1ccco1
InChIInChI=1S/C16H17N3O2/c1-11-15(19-13-7-4-3-6-12(13)18-11)17-10-16(2,20)14-8-5-9-21-14/h3-9,20H,10H2,1-2H3,(H,17,19)
InChIKeyDYHYQMZCJGLHJO-UHFFFAOYSA-N
XLogP2.85
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-yl)-1-[(2-thiophen-3-ylquinazolin-4-yl)amino]propan-2-ol
CID 133323931
1-[(6-fluoro-2-pyridinyl)amino]-2-(furan-2-yl)propan-2-ol
CID 133323859
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
2-(furan-2-yl)-1-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 133323722
2-(furan-2-yl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)propan-2-ol
CID 133323675
2-(furan-2-yl)-1-[(9-methylpurin-6-yl)amino]propan-2-ol
CID 139023673
2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol
CID 133323796
2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol
CID 111468723
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111505138
2-[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275509
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol
CID 115723893

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-[(3-methylquinoxalin-2-yl)amino]propan-2-ol?
The IUPAC name of 2-(furan-2-yl)-1-[(3-methylquinoxalin-2-yl)amino]propan-2-ol (CID 133323807) is 2-(furan-2-yl)-1-[(3-methylquinoxalin-2-yl)amino]propan-2-ol.
What is the SMILES notation for 2-(furan-2-yl)-1-[(3-methylquinoxalin-2-yl)amino]propan-2-ol?
The canonical SMILES for 2-(furan-2-yl)-1-[(3-methylquinoxalin-2-yl)amino]propan-2-ol is Cc1nc2ccccc2nc1NCC(C)(O)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-1-[(3-methylquinoxalin-2-yl)amino]propan-2-ol?
The InChIKey is DYHYQMZCJGLHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-15(19-13-7-4-3-6-12(13)18-11)17-10-16(2,20)14-8-5-9-21-14/h3-9,20H,10H2,1-2H3,(H,17,19).
What are the key properties of 2-(furan-2-yl)-1-[(3-methylquinoxalin-2-yl)amino]propan-2-ol?
2-(furan-2-yl)-1-[(3-methylquinoxalin-2-yl)amino]propan-2-ol has a molecular weight of 283.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-[(3-methylquinoxalin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 133323807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).