4-[1-(5-chlorothiophen-2-yl)ethylamino]cinnoline-3-carbonitrile

C15H11ClN4S — CID 64897695

IUPAC4-[1-(5-chlorothiophen-2-yl)ethylamino]cinnoline-3-carbonitrile
SMILESCC(Nc1c(C#N)nnc2ccccc12)c1ccc(Cl)s1
InChIInChI=1S/C15H11ClN4S/c1-9(13-6-7-14(16)21-13)18-15-10-4-2-3-5-11(10)19-20-12(15)8-17/h2-7,9H,1H3,(H,18,19)
InChIKeyPEMIYWPKBXHZOL-UHFFFAOYSA-N
MW314.80 g/mol
LogP4.39
Rot. Bonds3

About 4-[1-(5-chlorothiophen-2-yl)ethylamino]cinnoline-3-carbonitrile

4-[1-(5-chlorothiophen-2-yl)ethylamino]cinnoline-3-carbonitrile (PubChem CID 64897695) has the molecular formula C15H11ClN4S and a molecular weight of 314.80 g/mol. Its IUPAC name is 4-[1-(5-chlorothiophen-2-yl)ethylamino]cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-[1-(5-chlorothiophen-2-yl)ethylamino]cinnoline-3-carbonitrile
PubChem CID64897695
Molecular FormulaC15H11ClN4S
Molecular Weight314.80 g/mol
Exact Mass314.04
IUPAC Name4-[1-(5-chlorothiophen-2-yl)ethylamino]cinnoline-3-carbonitrile
SMILESCC(Nc1c(C#N)nnc2ccccc12)c1ccc(Cl)s1
InChIInChI=1S/C15H11ClN4S/c1-9(13-6-7-14(16)21-13)18-15-10-4-2-3-5-11(10)19-20-12(15)8-17/h2-7,9H,1H3,(H,18,19)
InChIKeyPEMIYWPKBXHZOL-UHFFFAOYSA-N
XLogP4.39
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,2,3-trimethylbutylamino)cinnoline-3-carbonitrile
CID 102609039
4-(5-methylhexan-2-ylamino)cinnoline-3-carbonitrile
CID 64897700
N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine
CID 61472818
4-(pent-4-en-2-ylamino)cinnoline-3-carbonitrile
CID 113466643
4-[1-(5-chlorothiophen-2-yl)ethylamino]-3,5-difluorobenzonitrile
CID 78988488
4-(heptan-2-ylamino)cinnoline-3-carbonitrile
CID 64897480
4-[(2-ethyl-2-hydroxybutyl)amino]cinnoline-3-carbonitrile
CID 64982839
4-(5-methylhexylamino)cinnoline-3-carbonitrile
CID 79002738
4-(1-aminopentan-2-ylamino)cinnoline-3-carbonitrile
CID 65192784
6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile
CID 55025215
6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-8-methylquinolin-5-amine
CID 43674643
2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzonitrile
CID 104716465

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-chlorothiophen-2-yl)ethylamino]cinnoline-3-carbonitrile?
The IUPAC name of 4-[1-(5-chlorothiophen-2-yl)ethylamino]cinnoline-3-carbonitrile (CID 64897695) is 4-[1-(5-chlorothiophen-2-yl)ethylamino]cinnoline-3-carbonitrile.
What is the SMILES notation for 4-[1-(5-chlorothiophen-2-yl)ethylamino]cinnoline-3-carbonitrile?
The canonical SMILES for 4-[1-(5-chlorothiophen-2-yl)ethylamino]cinnoline-3-carbonitrile is CC(Nc1c(C#N)nnc2ccccc12)c1ccc(Cl)s1.
What is the InChIKey of 4-[1-(5-chlorothiophen-2-yl)ethylamino]cinnoline-3-carbonitrile?
The InChIKey is PEMIYWPKBXHZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4S/c1-9(13-6-7-14(16)21-13)18-15-10-4-2-3-5-11(10)19-20-12(15)8-17/h2-7,9H,1H3,(H,18,19).
What are the key properties of 4-[1-(5-chlorothiophen-2-yl)ethylamino]cinnoline-3-carbonitrile?
4-[1-(5-chlorothiophen-2-yl)ethylamino]cinnoline-3-carbonitrile has a molecular weight of 314.80 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chlorothiophen-2-yl)ethylamino]cinnoline-3-carbonitrile is sourced from PubChem (CID 64897695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).