3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile

C18H14ClN3S — CID 14113240

IUPAC3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
SMILESN#Cc1sc2nc3c(c(-c4ccc(Cl)cc4)c2c1N)CCCC3
InChIInChI=1S/C18H14ClN3S/c19-11-7-5-10(6-8-11)15-12-3-1-2-4-13(12)22-18-16(15)17(21)14(9-20)23-18/h5-8H,1-4,21H2
InChIKeyTUACFWVDBJHKLN-UHFFFAOYSA-N
MW339.85 g/mol
LogP4.95
Rot. Bonds1

About 3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile

3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile (PubChem CID 14113240) has the molecular formula C18H14ClN3S and a molecular weight of 339.85 g/mol. Its IUPAC name is 3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
PubChem CID14113240
Molecular FormulaC18H14ClN3S
Molecular Weight339.85 g/mol
Exact Mass339.06
IUPAC Name3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
SMILESN#Cc1sc2nc3c(c(-c4ccc(Cl)cc4)c2c1N)CCCC3
InChIInChI=1S/C18H14ClN3S/c19-11-7-5-10(6-8-11)15-12-3-1-2-4-13(12)22-18-16(15)17(21)14(9-20)23-18/h5-8H,1-4,21H2
InChIKeyTUACFWVDBJHKLN-UHFFFAOYSA-N
XLogP4.95
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1315700
3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
CID 10338484
propyl 6-amino-8-(4-chlorophenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate
CID 4521248
4-(4-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56933567
6-amino-8-[(E)-2-phenylethenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carbonitrile
CID 10360214
ethyl 3-amino-4-(4-chlorophenyl)-2-cyano-6-methylthieno[2,3-b]pyridine-5-carboxylate
CID 144756247
9-(4-chlorophenyl)-15-methylsulfanyl-17-thia-2,12,13,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12,14-hexaene
CID 7312375
9-(4-chlorophenyl)-13-methyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-15-one
CID 135422446
3-amino-8-phenyl-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carbonitrile
CID 1472699
6-amino-8-[4-(dimethylamino)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide
CID 178081700
16-(4-chlorophenyl)-4-methyl-8-thia-3,5,10-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),4,9,11(15)-pentaene-6-thione
CID 990657
2-amino-4-(4-hydroxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 679342

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The IUPAC name of 3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile (CID 14113240) is 3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile.
What is the SMILES notation for 3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The canonical SMILES for 3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile is N#Cc1sc2nc3c(c(-c4ccc(Cl)cc4)c2c1N)CCCC3.
What is the InChIKey of 3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The InChIKey is TUACFWVDBJHKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3S/c19-11-7-5-10(6-8-11)15-12-3-1-2-4-13(12)22-18-16(15)17(21)14(9-20)23-18/h5-8H,1-4,21H2.
What are the key properties of 3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile has a molecular weight of 339.85 g/mol, XLogP of 4.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile is sourced from PubChem (CID 14113240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).