8-chloro-N-[2-(4-chlorophenyl)ethyl]cinnolin-4-amine

C16H13Cl2N3 — CID 20922981

IUPAC8-chloro-N-[2-(4-chlorophenyl)ethyl]cinnolin-4-amine
SMILESClc1ccc(CCNc2cnnc3c(Cl)cccc23)cc1
InChIInChI=1S/C16H13Cl2N3/c17-12-6-4-11(5-7-12)8-9-19-15-10-20-21-16-13(15)2-1-3-14(16)18/h1-7,10H,8-9H2,(H,19,21)
InChIKeyWQLYPSYXXSZCCK-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.59
Rot. Bonds4

About 8-chloro-N-[2-(4-chlorophenyl)ethyl]cinnolin-4-amine

8-chloro-N-[2-(4-chlorophenyl)ethyl]cinnolin-4-amine (PubChem CID 20922981) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 8-chloro-N-[2-(4-chlorophenyl)ethyl]cinnolin-4-amine.

Molecular Properties

Compound Name8-chloro-N-[2-(4-chlorophenyl)ethyl]cinnolin-4-amine
PubChem CID20922981
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name8-chloro-N-[2-(4-chlorophenyl)ethyl]cinnolin-4-amine
SMILESClc1ccc(CCNc2cnnc3c(Cl)cccc23)cc1
InChIInChI=1S/C16H13Cl2N3/c17-12-6-4-11(5-7-12)8-9-19-15-10-20-21-16-13(15)2-1-3-14(16)18/h1-7,10H,8-9H2,(H,19,21)
InChIKeyWQLYPSYXXSZCCK-UHFFFAOYSA-N
XLogP4.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine
CID 54795955
N-[(4-chlorophenyl)methyl]cinnolin-4-amine
CID 63586924
N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 54798222
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952800
3-N-[2-(3-chlorophenyl)ethyl]-5-N-[2-(4-chlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112956119
2-chloro-N-(2-pyridin-4-ylethyl)aniline
CID 45156427
1-N-[2-(4-chlorophenyl)ethyl]-3-fluorobenzene-1,2-diamine
CID 61380758
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyridin-2-amine
CID 55214934
3-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 63078168
N-[2-(4-chlorophenyl)ethyl]-1,6-naphthyridin-4-amine
CID 166233204
methyl 3-[2-[[6-[bis(4-chlorophenyl)methyl]cinnolin-4-yl]amino]ethyl]benzoate
CID 121471631
N-[2-(4-chlorophenyl)ethyl]-3,5-difluoropyridin-4-amine
CID 167960431

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[2-(4-chlorophenyl)ethyl]cinnolin-4-amine?
The IUPAC name of 8-chloro-N-[2-(4-chlorophenyl)ethyl]cinnolin-4-amine (CID 20922981) is 8-chloro-N-[2-(4-chlorophenyl)ethyl]cinnolin-4-amine.
What is the SMILES notation for 8-chloro-N-[2-(4-chlorophenyl)ethyl]cinnolin-4-amine?
The canonical SMILES for 8-chloro-N-[2-(4-chlorophenyl)ethyl]cinnolin-4-amine is Clc1ccc(CCNc2cnnc3c(Cl)cccc23)cc1.
What is the InChIKey of 8-chloro-N-[2-(4-chlorophenyl)ethyl]cinnolin-4-amine?
The InChIKey is WQLYPSYXXSZCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c17-12-6-4-11(5-7-12)8-9-19-15-10-20-21-16-13(15)2-1-3-14(16)18/h1-7,10H,8-9H2,(H,19,21).
What are the key properties of 8-chloro-N-[2-(4-chlorophenyl)ethyl]cinnolin-4-amine?
8-chloro-N-[2-(4-chlorophenyl)ethyl]cinnolin-4-amine has a molecular weight of 318.21 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[2-(4-chlorophenyl)ethyl]cinnolin-4-amine is sourced from PubChem (CID 20922981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).