4-(2-aminoethylamino)quinoline-7-carbonitrile

C12H12N4 — CID 71713002

IUPAC4-(2-aminoethylamino)quinoline-7-carbonitrile
SMILESN#Cc1ccc2c(NCCN)ccnc2c1
InChIInChI=1S/C12H12N4/c13-4-6-16-11-3-5-15-12-7-9(8-14)1-2-10(11)12/h1-3,5,7H,4,6,13H2,(H,15,16)
InChIKeyJKNFOPFXFUBVSS-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.48
Rot. Bonds3

About 4-(2-aminoethylamino)quinoline-7-carbonitrile

4-(2-aminoethylamino)quinoline-7-carbonitrile (PubChem CID 71713002) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 4-(2-aminoethylamino)quinoline-7-carbonitrile.

Molecular Properties

Compound Name4-(2-aminoethylamino)quinoline-7-carbonitrile
PubChem CID71713002
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name4-(2-aminoethylamino)quinoline-7-carbonitrile
SMILESN#Cc1ccc2c(NCCN)ccnc2c1
InChIInChI=1S/C12H12N4/c13-4-6-16-11-3-5-15-12-7-9(8-14)1-2-10(11)12/h1-3,5,7H,4,6,13H2,(H,15,16)
InChIKeyJKNFOPFXFUBVSS-UHFFFAOYSA-N
XLogP1.48
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-quinolin-5-ylethane-1,2-diamine
CID 81217065
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
6-(2-aminoethylamino)quinoline-5-carbonitrile
CID 23188461
6-(2-aminoethylamino)pyridine-3-carbonitrile
CID 11369405
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
7-methyl-N-propylquinolin-4-amine
CID 71072403
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine
CID 84655641
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
4-N-but-3-enylquinoline-4,7-diamine
CID 103001772
N'-quinolin-4-ylpentane-1,5-diamine
CID 107323516
N'-(1-methylpyrrolo[3,2-b]pyridin-7-yl)ethane-1,2-diamine
CID 112709573

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylamino)quinoline-7-carbonitrile?
The IUPAC name of 4-(2-aminoethylamino)quinoline-7-carbonitrile (CID 71713002) is 4-(2-aminoethylamino)quinoline-7-carbonitrile.
What is the SMILES notation for 4-(2-aminoethylamino)quinoline-7-carbonitrile?
The canonical SMILES for 4-(2-aminoethylamino)quinoline-7-carbonitrile is N#Cc1ccc2c(NCCN)ccnc2c1.
What is the InChIKey of 4-(2-aminoethylamino)quinoline-7-carbonitrile?
The InChIKey is JKNFOPFXFUBVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c13-4-6-16-11-3-5-15-12-7-9(8-14)1-2-10(11)12/h1-3,5,7H,4,6,13H2,(H,15,16).
What are the key properties of 4-(2-aminoethylamino)quinoline-7-carbonitrile?
4-(2-aminoethylamino)quinoline-7-carbonitrile has a molecular weight of 212.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylamino)quinoline-7-carbonitrile is sourced from PubChem (CID 71713002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).