N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine

C19H12FN5S — CID 51036450

IUPACN-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
SMILESFc1ccccc1Nc1nc2c(-c3ncn[nH]3)cccc2c2sccc12
InChIInChI=1S/C19H12FN5S/c20-14-6-1-2-7-15(14)23-19-13-8-9-26-17(13)11-4-3-5-12(16(11)24-19)18-21-10-22-25-18/h1-10H,(H,23,24)(H,21,22,25)
InChIKeyVHYFSZXXVNRARV-UHFFFAOYSA-N
MW361.41 g/mol
LogP5.12
Rot. Bonds3

About N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine

N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine (PubChem CID 51036450) has the molecular formula C19H12FN5S and a molecular weight of 361.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
PubChem CID51036450
Molecular FormulaC19H12FN5S
Molecular Weight361.41 g/mol
Exact Mass361.08
IUPAC NameN-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
SMILESFc1ccccc1Nc1nc2c(-c3ncn[nH]3)cccc2c2sccc12
InChIInChI=1S/C19H12FN5S/c20-14-6-1-2-7-15(14)23-19-13-8-9-26-17(13)11-4-3-5-12(16(11)24-19)18-21-10-22-25-18/h1-10H,(H,23,24)(H,21,22,25)
InChIKeyVHYFSZXXVNRARV-UHFFFAOYSA-N
XLogP5.12
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.41
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
The IUPAC name of N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine (CID 51036450) is N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine.
What is the SMILES notation for N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
The canonical SMILES for N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine is Fc1ccccc1Nc1nc2c(-c3ncn[nH]3)cccc2c2sccc12.
What is the InChIKey of N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
The InChIKey is VHYFSZXXVNRARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN5S/c20-14-6-1-2-7-15(14)23-19-13-8-9-26-17(13)11-4-3-5-12(16(11)24-19)18-21-10-22-25-18/h1-10H,(H,23,24)(H,21,22,25).
What are the key properties of N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine has a molecular weight of 361.41 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine is sourced from PubChem (CID 51036450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).