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

C25H23FN6O2S — CID 51036854

IUPACN-[2-fluoro-3-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
SMILESFc1c(Nc2nc3c(-c4ncn[nH]4)cccc3c3sccc23)cccc1OCCN1CCOCC1
InChIInChI=1S/C25H23FN6O2S/c26-21-19(5-2-6-20(21)34-13-10-32-8-11-33-12-9-32)29-25-18-7-14-35-23(18)16-3-1-4-17(22(16)30-25)24-27-15-28-31-24/h1-7,14-15H,8-13H2,(H,29,30)(H,27,28,31)
InChIKeyGJQLKNCMQYUJKB-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.83
Rot. Bonds7

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

N-[2-fluoro-3-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine (PubChem CID 51036854) has the molecular formula C25H23FN6O2S and a molecular weight of 490.56 g/mol. Its IUPAC name is N-[2-fluoro-3-(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-3-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
PubChem CID51036854
Molecular FormulaC25H23FN6O2S
Molecular Weight490.56 g/mol
Exact Mass490.16
IUPAC NameN-[2-fluoro-3-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
SMILESFc1c(Nc2nc3c(-c4ncn[nH]4)cccc3c3sccc23)cccc1OCCN1CCOCC1
InChIInChI=1S/C25H23FN6O2S/c26-21-19(5-2-6-20(21)34-13-10-32-8-11-33-12-9-32)29-25-18-7-14-35-23(18)16-3-1-4-17(22(16)30-25)24-27-15-28-31-24/h1-7,14-15H,8-13H2,(H,29,30)(H,27,28,31)
InChIKeyGJQLKNCMQYUJKB-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-3-(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-3-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine (CID 51036854) is N-[2-fluoro-3-(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-3-(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-3-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine is Fc1c(Nc2nc3c(-c4ncn[nH]4)cccc3c3sccc23)cccc1OCCN1CCOCC1.
What is the InChIKey of N-[2-fluoro-3-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
The InChIKey is GJQLKNCMQYUJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2S/c26-21-19(5-2-6-20(21)34-13-10-32-8-11-33-12-9-32)29-25-18-7-14-35-23(18)16-3-1-4-17(22(16)30-25)24-27-15-28-31-24/h1-7,14-15H,8-13H2,(H,29,30)(H,27,28,31).
What are the key properties of N-[2-fluoro-3-(2-morpholin-4-ylethoxy)phenyl]-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
N-[2-fluoro-3-(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-3-(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 51036854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).