3-[3-chloro-4-(7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine

C23H18Cl2N4S — CID 69156768

IUPAC3-[3-chloro-4-(7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine
SMILESNCCCc1ccc(-n2cnc3cnc4cc(Cl)c(-c5ccsc5)cc4c32)c(Cl)c1
InChIInChI=1S/C23H18Cl2N4S/c24-18-10-20-17(9-16(18)15-5-7-30-12-15)23-21(11-27-20)28-13-29(23)22-4-3-14(2-1-6-26)8-19(22)25/h3-5,7-13H,1-2,6,26H2
InChIKeySOJVKZJGUAUADS-UHFFFAOYSA-N
MW453.40 g/mol
LogP6.50
Rot. Bonds5

About 3-[3-chloro-4-(7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine

3-[3-chloro-4-(7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine (PubChem CID 69156768) has the molecular formula C23H18Cl2N4S and a molecular weight of 453.40 g/mol. Its IUPAC name is 3-[3-chloro-4-(7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-chloro-4-(7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine
PubChem CID69156768
Molecular FormulaC23H18Cl2N4S
Molecular Weight453.40 g/mol
Exact Mass452.06
IUPAC Name3-[3-chloro-4-(7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine
SMILESNCCCc1ccc(-n2cnc3cnc4cc(Cl)c(-c5ccsc5)cc4c32)c(Cl)c1
InChIInChI=1S/C23H18Cl2N4S/c24-18-10-20-17(9-16(18)15-5-7-30-12-15)23-21(11-27-20)28-13-29(23)22-4-3-14(2-1-6-26)8-19(22)25/h3-5,7-13H,1-2,6,26H2
InChIKeySOJVKZJGUAUADS-UHFFFAOYSA-N
XLogP6.50
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.40
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-chloro-4-(7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
CID 69157085
2-[3-chloro-4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
CID 157084721
3-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
CID 69156469
2-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
CID 69156709
7-fluoro-1-phenyl-8-thiophen-3-ylimidazo[4,5-c]quinoline
CID 141118135
3-[4-(2-amino-7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
CID 11362432
2-[3-chloro-4-[7-fluoro-8-(1H-indol-5-yl)imidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile
CID 69158052
3-[3-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
CID 69156254
CID 87724629
CID 87724629
2-[4-(8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)phenyl]acetonitrile
CID 134148617
8-chloro-1-(2-chlorophenyl)imidazo[4,5-c]quinoline
CID 10448328
2-[3-chloro-4-(5,6-dimethylbenzimidazol-1-yl)phenyl]ethanamine
CID 81159919

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-(7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine?
The IUPAC name of 3-[3-chloro-4-(7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine (CID 69156768) is 3-[3-chloro-4-(7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-chloro-4-(7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine?
The canonical SMILES for 3-[3-chloro-4-(7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine is NCCCc1ccc(-n2cnc3cnc4cc(Cl)c(-c5ccsc5)cc4c32)c(Cl)c1.
What is the InChIKey of 3-[3-chloro-4-(7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine?
The InChIKey is SOJVKZJGUAUADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4S/c24-18-10-20-17(9-16(18)15-5-7-30-12-15)23-21(11-27-20)28-13-29(23)22-4-3-14(2-1-6-26)8-19(22)25/h3-5,7-13H,1-2,6,26H2.
What are the key properties of 3-[3-chloro-4-(7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine?
3-[3-chloro-4-(7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine has a molecular weight of 453.40 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-(7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 69156768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).