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

C25H23FN6O2S — CID 58189491

IUPACN-[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
SMILESFc1ccc(OCCN2CCOCC2)cc1Nc1nc2c(-c3ncn[nH]3)cccc2c2sccc12
InChIInChI=1S/C25H23FN6O2S/c26-20-5-4-16(34-12-9-32-7-10-33-11-8-32)14-21(20)29-25-19-6-13-35-23(19)17-2-1-3-18(22(17)30-25)24-27-15-28-31-24/h1-6,13-15H,7-12H2,(H,29,30)(H,27,28,31)
InChIKeyJJJMWLNLECQFDF-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.83
Rot. Bonds7

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

N-[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine (PubChem CID 58189491) has the molecular formula C25H23FN6O2S and a molecular weight of 490.56 g/mol. Its IUPAC name is N-[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine.

Molecular Properties

Compound NameN-[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
PubChem CID58189491
Molecular FormulaC25H23FN6O2S
Molecular Weight490.56 g/mol
Exact Mass490.16
IUPAC NameN-[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
SMILESFc1ccc(OCCN2CCOCC2)cc1Nc1nc2c(-c3ncn[nH]3)cccc2c2sccc12
InChIInChI=1S/C25H23FN6O2S/c26-20-5-4-16(34-12-9-32-7-10-33-11-8-32)14-21(20)29-25-19-6-13-35-23(19)17-2-1-3-18(22(17)30-25)24-27-15-28-31-24/h1-6,13-15H,7-12H2,(H,29,30)(H,27,28,31)
InChIKeyJJJMWLNLECQFDF-UHFFFAOYSA-N
XLogP4.83
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
The IUPAC name of N-[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine (CID 58189491) is N-[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine.
What is the SMILES notation for N-[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
The canonical SMILES for N-[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine is Fc1ccc(OCCN2CCOCC2)cc1Nc1nc2c(-c3ncn[nH]3)cccc2c2sccc12.
What is the InChIKey of N-[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
The InChIKey is JJJMWLNLECQFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2S/c26-20-5-4-16(34-12-9-32-7-10-33-11-8-32)14-21(20)29-25-19-6-13-35-23(19)17-2-1-3-18(22(17)30-25)24-27-15-28-31-24/h1-6,13-15H,7-12H2,(H,29,30)(H,27,28,31).
What are the key properties of N-[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
N-[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine has a molecular weight of 490.56 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine is sourced from PubChem (CID 58189491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).