N-[3-(1-methylpyrazol-3-yl)phenyl]-7-(1,3-thiazol-2-yl)quinolin-4-amine

C22H17N5S — CID 44532378

IUPACN-[3-(1-methylpyrazol-3-yl)phenyl]-7-(1,3-thiazol-2-yl)quinolin-4-amine
SMILESCn1ccc(-c2cccc(Nc3ccnc4cc(-c5nccs5)ccc34)c2)n1
InChIInChI=1S/C22H17N5S/c1-27-11-8-19(26-27)15-3-2-4-17(13-15)25-20-7-9-23-21-14-16(5-6-18(20)21)22-24-10-12-28-22/h2-14H,1H3,(H,23,25)
InChIKeyXXOXSVINRAKDIU-UHFFFAOYSA-N
MW383.48 g/mol
LogP5.50
Rot. Bonds4

About N-[3-(1-methylpyrazol-3-yl)phenyl]-7-(1,3-thiazol-2-yl)quinolin-4-amine

N-[3-(1-methylpyrazol-3-yl)phenyl]-7-(1,3-thiazol-2-yl)quinolin-4-amine (PubChem CID 44532378) has the molecular formula C22H17N5S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[3-(1-methylpyrazol-3-yl)phenyl]-7-(1,3-thiazol-2-yl)quinolin-4-amine.

Molecular Properties

Compound NameN-[3-(1-methylpyrazol-3-yl)phenyl]-7-(1,3-thiazol-2-yl)quinolin-4-amine
PubChem CID44532378
Molecular FormulaC22H17N5S
Molecular Weight383.48 g/mol
Exact Mass383.12
IUPAC NameN-[3-(1-methylpyrazol-3-yl)phenyl]-7-(1,3-thiazol-2-yl)quinolin-4-amine
SMILESCn1ccc(-c2cccc(Nc3ccnc4cc(-c5nccs5)ccc34)c2)n1
InChIInChI=1S/C22H17N5S/c1-27-11-8-19(26-27)15-3-2-4-17(13-15)25-20-7-9-23-21-14-16(5-6-18(20)21)22-24-10-12-28-22/h2-14H,1H3,(H,23,25)
InChIKeyXXOXSVINRAKDIU-UHFFFAOYSA-N
XLogP5.50
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.48
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpyrazol-3-yl)phenyl]-7-(1,3-thiazol-2-yl)quinolin-4-amine?
The IUPAC name of N-[3-(1-methylpyrazol-3-yl)phenyl]-7-(1,3-thiazol-2-yl)quinolin-4-amine (CID 44532378) is N-[3-(1-methylpyrazol-3-yl)phenyl]-7-(1,3-thiazol-2-yl)quinolin-4-amine.
What is the SMILES notation for N-[3-(1-methylpyrazol-3-yl)phenyl]-7-(1,3-thiazol-2-yl)quinolin-4-amine?
The canonical SMILES for N-[3-(1-methylpyrazol-3-yl)phenyl]-7-(1,3-thiazol-2-yl)quinolin-4-amine is Cn1ccc(-c2cccc(Nc3ccnc4cc(-c5nccs5)ccc34)c2)n1.
What is the InChIKey of N-[3-(1-methylpyrazol-3-yl)phenyl]-7-(1,3-thiazol-2-yl)quinolin-4-amine?
The InChIKey is XXOXSVINRAKDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5S/c1-27-11-8-19(26-27)15-3-2-4-17(13-15)25-20-7-9-23-21-14-16(5-6-18(20)21)22-24-10-12-28-22/h2-14H,1H3,(H,23,25).
What are the key properties of N-[3-(1-methylpyrazol-3-yl)phenyl]-7-(1,3-thiazol-2-yl)quinolin-4-amine?
N-[3-(1-methylpyrazol-3-yl)phenyl]-7-(1,3-thiazol-2-yl)quinolin-4-amine has a molecular weight of 383.48 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpyrazol-3-yl)phenyl]-7-(1,3-thiazol-2-yl)quinolin-4-amine is sourced from PubChem (CID 44532378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).