N-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-(5-methylthiadiazol-4-yl)quinolin-4-amine

C19H14F3N5OS — CID 59705101

IUPACN-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-(5-methylthiadiazol-4-yl)quinolin-4-amine
SMILESCOc1nc(Nc2ccnc3cc(-c4nnsc4C)ccc23)ccc1C(F)(F)F
InChIInChI=1S/C19H14F3N5OS/c1-10-17(26-27-29-10)11-3-4-12-14(7-8-23-15(12)9-11)24-16-6-5-13(19(20,21)22)18(25-16)28-2/h3-9H,1-2H3,(H,23,24,25)
InChIKeyIFDRQLDUKXPTAT-UHFFFAOYSA-N
MW417.42 g/mol
LogP5.23
Rot. Bonds4

About N-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-(5-methylthiadiazol-4-yl)quinolin-4-amine

N-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-(5-methylthiadiazol-4-yl)quinolin-4-amine (PubChem CID 59705101) has the molecular formula C19H14F3N5OS and a molecular weight of 417.42 g/mol. Its IUPAC name is N-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-(5-methylthiadiazol-4-yl)quinolin-4-amine.

Molecular Properties

Compound NameN-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-(5-methylthiadiazol-4-yl)quinolin-4-amine
PubChem CID59705101
Molecular FormulaC19H14F3N5OS
Molecular Weight417.42 g/mol
Exact Mass417.09
IUPAC NameN-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-(5-methylthiadiazol-4-yl)quinolin-4-amine
SMILESCOc1nc(Nc2ccnc3cc(-c4nnsc4C)ccc23)ccc1C(F)(F)F
InChIInChI=1S/C19H14F3N5OS/c1-10-17(26-27-29-10)11-3-4-12-14(7-8-23-15(12)9-11)24-16-6-5-13(19(20,21)22)18(25-16)28-2/h3-9H,1-2H3,(H,23,24,25)
InChIKeyIFDRQLDUKXPTAT-UHFFFAOYSA-N
XLogP5.23
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.42
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-(5-methylthiadiazol-4-yl)quinolin-4-amine?
The IUPAC name of N-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-(5-methylthiadiazol-4-yl)quinolin-4-amine (CID 59705101) is N-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-(5-methylthiadiazol-4-yl)quinolin-4-amine.
What is the SMILES notation for N-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-(5-methylthiadiazol-4-yl)quinolin-4-amine?
The canonical SMILES for N-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-(5-methylthiadiazol-4-yl)quinolin-4-amine is COc1nc(Nc2ccnc3cc(-c4nnsc4C)ccc23)ccc1C(F)(F)F.
What is the InChIKey of N-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-(5-methylthiadiazol-4-yl)quinolin-4-amine?
The InChIKey is IFDRQLDUKXPTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5OS/c1-10-17(26-27-29-10)11-3-4-12-14(7-8-23-15(12)9-11)24-16-6-5-13(19(20,21)22)18(25-16)28-2/h3-9H,1-2H3,(H,23,24,25).
What are the key properties of N-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-(5-methylthiadiazol-4-yl)quinolin-4-amine?
N-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-(5-methylthiadiazol-4-yl)quinolin-4-amine has a molecular weight of 417.42 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-(5-methylthiadiazol-4-yl)quinolin-4-amine is sourced from PubChem (CID 59705101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).