5-(2-hydroxyethylamino)quinoline-8-carbonitrile

C12H11N3O — CID 14501167

IUPAC5-(2-hydroxyethylamino)quinoline-8-carbonitrile
SMILESN#Cc1ccc(NCCO)c2cccnc12
InChIInChI=1S/C12H11N3O/c13-8-9-3-4-11(14-6-7-16)10-2-1-5-15-12(9)10/h1-5,14,16H,6-7H2
InChIKeyQXAQGXDZCCWXOP-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.51
Rot. Bonds3

About 5-(2-hydroxyethylamino)quinoline-8-carbonitrile

5-(2-hydroxyethylamino)quinoline-8-carbonitrile (PubChem CID 14501167) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-(2-hydroxyethylamino)quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-(2-hydroxyethylamino)quinoline-8-carbonitrile
PubChem CID14501167
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name5-(2-hydroxyethylamino)quinoline-8-carbonitrile
SMILESN#Cc1ccc(NCCO)c2cccnc12
InChIInChI=1S/C12H11N3O/c13-8-9-3-4-11(14-6-7-16)10-2-1-5-15-12(9)10/h1-5,14,16H,6-7H2
InChIKeyQXAQGXDZCCWXOP-UHFFFAOYSA-N
XLogP1.51
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-aminoquinolin-8-yl)amino]ethanol
CID 43450143
ethane;5-methylquinoline-8-carbonitrile
CID 143801649
4-(3-hydroxypropylamino)naphthalene-1-carbonitrile
CID 11148845
2-[[(8-chloroquinolin-5-yl)amino]methyl]benzonitrile
CID 107935902
5-ethylquinoline-8-carbonitrile
CID 146709556
3-[(8-nitroquinolin-5-yl)amino]propan-1-ol
CID 43386308
8-chloroquinoline-5-carbonitrile
CID 119084135
2-[(5-nitroquinolin-6-yl)amino]ethanol
CID 43809978
5-bromoquinoline-8-carbonitrile;methane;5-methylquinoline-8-carbonitrile
CID 158963770
2-[(2-methyl-3-pyridinyl)amino]ethanol
CID 18349954
5-amino-2-(2-hydroxyethylamino)benzonitrile
CID 15827829
2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile
CID 116784510

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethylamino)quinoline-8-carbonitrile?
The IUPAC name of 5-(2-hydroxyethylamino)quinoline-8-carbonitrile (CID 14501167) is 5-(2-hydroxyethylamino)quinoline-8-carbonitrile.
What is the SMILES notation for 5-(2-hydroxyethylamino)quinoline-8-carbonitrile?
The canonical SMILES for 5-(2-hydroxyethylamino)quinoline-8-carbonitrile is N#Cc1ccc(NCCO)c2cccnc12.
What is the InChIKey of 5-(2-hydroxyethylamino)quinoline-8-carbonitrile?
The InChIKey is QXAQGXDZCCWXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c13-8-9-3-4-11(14-6-7-16)10-2-1-5-15-12(9)10/h1-5,14,16H,6-7H2.
What are the key properties of 5-(2-hydroxyethylamino)quinoline-8-carbonitrile?
5-(2-hydroxyethylamino)quinoline-8-carbonitrile has a molecular weight of 213.24 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethylamino)quinoline-8-carbonitrile is sourced from PubChem (CID 14501167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).