2-[2-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile

C22H13ClN4S — CID 11211762

IUPAC2-[2-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
SMILESN#CCc1ccc(-n2cnc3cnc4ccc(-c5cccs5)cc4c32)cc1Cl
InChIInChI=1S/C22H13ClN4S/c23-18-11-16(5-3-14(18)7-8-24)27-13-26-20-12-25-19-6-4-15(10-17(19)22(20)27)21-2-1-9-28-21/h1-6,9-13H,7H2
InChIKeyHJZKHKHXTPOHAT-UHFFFAOYSA-N
MW400.89 g/mol
LogP6.02
Rot. Bonds3

About 2-[2-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile

2-[2-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile (PubChem CID 11211762) has the molecular formula C22H13ClN4S and a molecular weight of 400.89 g/mol. Its IUPAC name is 2-[2-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
PubChem CID11211762
Molecular FormulaC22H13ClN4S
Molecular Weight400.89 g/mol
Exact Mass400.05
IUPAC Name2-[2-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
SMILESN#CCc1ccc(-n2cnc3cnc4ccc(-c5cccs5)cc4c32)cc1Cl
InChIInChI=1S/C22H13ClN4S/c23-18-11-16(5-3-14(18)7-8-24)27-13-26-20-12-25-19-6-4-15(10-17(19)22(20)27)21-2-1-9-28-21/h1-6,9-13H,7H2
InChIKeyHJZKHKHXTPOHAT-UHFFFAOYSA-N
XLogP6.02
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.89
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
CID 11314587
3-[3-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
CID 69156254
2,3-bis[2-fluoro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile
CID 69157566
2-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
CID 69156709
3-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
CID 69156469
8-(1,3-benzodioxol-5-yl)-1-[3-chloro-4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenyl]imidazo[4,5-c]quinoline
CID 11454761
2-[4-(8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)phenyl]acetonitrile
CID 134148617
2-[3-chloro-4-(7-chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
CID 69157085
8-chloro-1-(3-methylphenyl)imidazo[4,5-c]quinoline
CID 175243886
2-[4-[8-(1-benzothiophen-2-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile
CID 11362541
2-[3-chloro-4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
CID 157084721
1-[(2-chloro-4-thiophen-2-ylphenyl)methyl]-2,5-dimethylimidazole
CID 57234368

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile?
The IUPAC name of 2-[2-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile (CID 11211762) is 2-[2-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile?
The canonical SMILES for 2-[2-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile is N#CCc1ccc(-n2cnc3cnc4ccc(-c5cccs5)cc4c32)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile?
The InChIKey is HJZKHKHXTPOHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClN4S/c23-18-11-16(5-3-14(18)7-8-24)27-13-26-20-12-25-19-6-4-15(10-17(19)22(20)27)21-2-1-9-28-21/h1-6,9-13H,7H2.
What are the key properties of 2-[2-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile?
2-[2-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile has a molecular weight of 400.89 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile is sourced from PubChem (CID 11211762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).