3-(1H-pyrazol-5-yl)-4-(2-thiophen-3-ylethoxy)quinolin-2-amine

C18H16N4OS — CID 175901261

IUPAC3-(1H-pyrazol-5-yl)-4-(2-thiophen-3-ylethoxy)quinolin-2-amine
SMILESNc1nc2ccccc2c(OCCc2ccsc2)c1-c1ccn[nH]1
InChIInChI=1S/C18H16N4OS/c19-18-16(15-5-8-20-22-15)17(13-3-1-2-4-14(13)21-18)23-9-6-12-7-10-24-11-12/h1-5,7-8,10-11H,6,9H2,(H2,19,21)(H,20,22)
InChIKeyPOLAKFVYHCFYHS-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.89
Rot. Bonds5

About 3-(1H-pyrazol-5-yl)-4-(2-thiophen-3-ylethoxy)quinolin-2-amine

3-(1H-pyrazol-5-yl)-4-(2-thiophen-3-ylethoxy)quinolin-2-amine (PubChem CID 175901261) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-yl)-4-(2-thiophen-3-ylethoxy)quinolin-2-amine.

Molecular Properties

Compound Name3-(1H-pyrazol-5-yl)-4-(2-thiophen-3-ylethoxy)quinolin-2-amine
PubChem CID175901261
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name3-(1H-pyrazol-5-yl)-4-(2-thiophen-3-ylethoxy)quinolin-2-amine
SMILESNc1nc2ccccc2c(OCCc2ccsc2)c1-c1ccn[nH]1
InChIInChI=1S/C18H16N4OS/c19-18-16(15-5-8-20-22-15)17(13-3-1-2-4-14(13)21-18)23-9-6-12-7-10-24-11-12/h1-5,7-8,10-11H,6,9H2,(H2,19,21)(H,20,22)
InChIKeyPOLAKFVYHCFYHS-UHFFFAOYSA-N
XLogP3.89
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-yl)-4-(2-thiophen-3-ylethoxy)quinolin-2-amine?
The IUPAC name of 3-(1H-pyrazol-5-yl)-4-(2-thiophen-3-ylethoxy)quinolin-2-amine (CID 175901261) is 3-(1H-pyrazol-5-yl)-4-(2-thiophen-3-ylethoxy)quinolin-2-amine.
What is the SMILES notation for 3-(1H-pyrazol-5-yl)-4-(2-thiophen-3-ylethoxy)quinolin-2-amine?
The canonical SMILES for 3-(1H-pyrazol-5-yl)-4-(2-thiophen-3-ylethoxy)quinolin-2-amine is Nc1nc2ccccc2c(OCCc2ccsc2)c1-c1ccn[nH]1.
What is the InChIKey of 3-(1H-pyrazol-5-yl)-4-(2-thiophen-3-ylethoxy)quinolin-2-amine?
The InChIKey is POLAKFVYHCFYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c19-18-16(15-5-8-20-22-15)17(13-3-1-2-4-14(13)21-18)23-9-6-12-7-10-24-11-12/h1-5,7-8,10-11H,6,9H2,(H2,19,21)(H,20,22).
What are the key properties of 3-(1H-pyrazol-5-yl)-4-(2-thiophen-3-ylethoxy)quinolin-2-amine?
3-(1H-pyrazol-5-yl)-4-(2-thiophen-3-ylethoxy)quinolin-2-amine has a molecular weight of 336.42 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-yl)-4-(2-thiophen-3-ylethoxy)quinolin-2-amine is sourced from PubChem (CID 175901261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).