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

C19H13N5S — CID 58189553

IUPACN-phenyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine
SMILESc1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cscc23)cc1
InChIInChI=1S/C19H13N5S/c1-2-5-12(6-3-1)22-19-16-10-25-9-15(16)13-7-4-8-14(17(13)23-19)18-20-11-21-24-18/h1-11H,(H,22,23)(H,20,21,24)
InChIKeyHIQSWPMUNKYMHE-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.98
Rot. Bonds3

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

N-phenyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine (PubChem CID 58189553) has the molecular formula C19H13N5S and a molecular weight of 343.42 g/mol. Its IUPAC name is N-phenyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine.

Molecular Properties

Compound NameN-phenyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine
PubChem CID58189553
Molecular FormulaC19H13N5S
Molecular Weight343.42 g/mol
Exact Mass343.09
IUPAC NameN-phenyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine
SMILESc1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cscc23)cc1
InChIInChI=1S/C19H13N5S/c1-2-5-12(6-3-1)22-19-16-10-25-9-15(16)13-7-4-8-14(17(13)23-19)18-20-11-21-24-18/h1-11H,(H,22,23)(H,20,21,24)
InChIKeyHIQSWPMUNKYMHE-UHFFFAOYSA-N
XLogP4.98
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine?
The IUPAC name of N-phenyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine (CID 58189553) is N-phenyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine.
What is the SMILES notation for N-phenyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine?
The canonical SMILES for N-phenyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine is c1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cscc23)cc1.
What is the InChIKey of N-phenyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine?
The InChIKey is HIQSWPMUNKYMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5S/c1-2-5-12(6-3-1)22-19-16-10-25-9-15(16)13-7-4-8-14(17(13)23-19)18-20-11-21-24-18/h1-11H,(H,22,23)(H,20,21,24).
What are the key properties of N-phenyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine?
N-phenyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine has a molecular weight of 343.42 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,4-c]quinolin-4-amine is sourced from PubChem (CID 58189553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).