2,4-bis(2-hydroxyethylamino)quinoline-3-carbonitrile

C14H16N4O2 — CID 171987692

IUPAC2,4-bis(2-hydroxyethylamino)quinoline-3-carbonitrile
SMILESN#Cc1c(NCCO)nc2ccccc2c1NCCO
InChIInChI=1S/C14H16N4O2/c15-9-11-13(16-5-7-19)10-3-1-2-4-12(10)18-14(11)17-6-8-20/h1-4,19-20H,5-8H2,(H2,16,17,18)
InChIKeyTZTZJEJWZQIMRR-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.91
Rot. Bonds6

About 2,4-bis(2-hydroxyethylamino)quinoline-3-carbonitrile

2,4-bis(2-hydroxyethylamino)quinoline-3-carbonitrile (PubChem CID 171987692) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2,4-bis(2-hydroxyethylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2,4-bis(2-hydroxyethylamino)quinoline-3-carbonitrile
PubChem CID171987692
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2,4-bis(2-hydroxyethylamino)quinoline-3-carbonitrile
SMILESN#Cc1c(NCCO)nc2ccccc2c1NCCO
InChIInChI=1S/C14H16N4O2/c15-9-11-13(16-5-7-19)10-3-1-2-4-12(10)18-14(11)17-6-8-20/h1-4,19-20H,5-8H2,(H2,16,17,18)
InChIKeyTZTZJEJWZQIMRR-UHFFFAOYSA-N
XLogP0.91
TPSA101.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-hydroxyethylamino)quinoline-3-carbonitrile?
The IUPAC name of 2,4-bis(2-hydroxyethylamino)quinoline-3-carbonitrile (CID 171987692) is 2,4-bis(2-hydroxyethylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 2,4-bis(2-hydroxyethylamino)quinoline-3-carbonitrile?
The canonical SMILES for 2,4-bis(2-hydroxyethylamino)quinoline-3-carbonitrile is N#Cc1c(NCCO)nc2ccccc2c1NCCO.
What is the InChIKey of 2,4-bis(2-hydroxyethylamino)quinoline-3-carbonitrile?
The InChIKey is TZTZJEJWZQIMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-9-11-13(16-5-7-19)10-3-1-2-4-12(10)18-14(11)17-6-8-20/h1-4,19-20H,5-8H2,(H2,16,17,18).
What are the key properties of 2,4-bis(2-hydroxyethylamino)quinoline-3-carbonitrile?
2,4-bis(2-hydroxyethylamino)quinoline-3-carbonitrile has a molecular weight of 272.31 g/mol, XLogP of 0.91, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-hydroxyethylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 171987692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).