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

C19H11F2N5S — CID 51036453

IUPACN-(2,6-difluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
SMILESFc1cccc(F)c1Nc1nc2c(-c3ncn[nH]3)cccc2c2sccc12
InChIInChI=1S/C19H11F2N5S/c20-13-5-2-6-14(21)16(13)25-19-12-7-8-27-17(12)10-3-1-4-11(15(10)24-19)18-22-9-23-26-18/h1-9H,(H,24,25)(H,22,23,26)
InChIKeyMYHLWBZKXKXQFA-UHFFFAOYSA-N
MW379.40 g/mol
LogP5.26
Rot. Bonds3

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

N-(2,6-difluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine (PubChem CID 51036453) has the molecular formula C19H11F2N5S and a molecular weight of 379.40 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
PubChem CID51036453
Molecular FormulaC19H11F2N5S
Molecular Weight379.40 g/mol
Exact Mass379.07
IUPAC NameN-(2,6-difluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
SMILESFc1cccc(F)c1Nc1nc2c(-c3ncn[nH]3)cccc2c2sccc12
InChIInChI=1S/C19H11F2N5S/c20-13-5-2-6-14(21)16(13)25-19-12-7-8-27-17(12)10-3-1-4-11(15(10)24-19)18-22-9-23-26-18/h1-9H,(H,24,25)(H,22,23,26)
InChIKeyMYHLWBZKXKXQFA-UHFFFAOYSA-N
XLogP5.26
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.40
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
The IUPAC name of N-(2,6-difluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine (CID 51036453) is N-(2,6-difluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
The canonical SMILES for N-(2,6-difluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine is Fc1cccc(F)c1Nc1nc2c(-c3ncn[nH]3)cccc2c2sccc12.
What is the InChIKey of N-(2,6-difluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
The InChIKey is MYHLWBZKXKXQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F2N5S/c20-13-5-2-6-14(21)16(13)25-19-12-7-8-27-17(12)10-3-1-4-11(15(10)24-19)18-22-9-23-26-18/h1-9H,(H,24,25)(H,22,23,26).
What are the key properties of N-(2,6-difluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
N-(2,6-difluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine has a molecular weight of 379.40 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine is sourced from PubChem (CID 51036453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).