7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-thiophen-3-yl-4-pyridinyl)quinolin-4-amine

C25H24N6S — CID 164628856

IUPAC7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-thiophen-3-yl-4-pyridinyl)quinolin-4-amine
SMILESCN(C)CCn1cc(-c2ccc3c(Nc4ccnc(-c5ccsc5)c4)ccnc3c2)cn1
InChIInChI=1S/C25H24N6S/c1-30(2)10-11-31-16-20(15-28-31)18-3-4-22-23(6-9-27-25(22)13-18)29-21-5-8-26-24(14-21)19-7-12-32-17-19/h3-9,12-17H,10-11H2,1-2H3,(H,26,27,29)
InChIKeyQDRFBFCKKOITJI-UHFFFAOYSA-N
MW440.58 g/mol
LogP5.53
Rot. Bonds7

About 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-thiophen-3-yl-4-pyridinyl)quinolin-4-amine

7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-thiophen-3-yl-4-pyridinyl)quinolin-4-amine (PubChem CID 164628856) has the molecular formula C25H24N6S and a molecular weight of 440.58 g/mol. Its IUPAC name is 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-thiophen-3-yl-4-pyridinyl)quinolin-4-amine.

Molecular Properties

Compound Name7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-thiophen-3-yl-4-pyridinyl)quinolin-4-amine
PubChem CID164628856
Molecular FormulaC25H24N6S
Molecular Weight440.58 g/mol
Exact Mass440.18
IUPAC Name7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-thiophen-3-yl-4-pyridinyl)quinolin-4-amine
SMILESCN(C)CCn1cc(-c2ccc3c(Nc4ccnc(-c5ccsc5)c4)ccnc3c2)cn1
InChIInChI=1S/C25H24N6S/c1-30(2)10-11-31-16-20(15-28-31)18-3-4-22-23(6-9-27-25(22)13-18)29-21-5-8-26-24(14-21)19-7-12-32-17-19/h3-9,12-17H,10-11H2,1-2H3,(H,26,27,29)
InChIKeyQDRFBFCKKOITJI-UHFFFAOYSA-N
XLogP5.53
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.58
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-thiophen-3-yl-4-pyridinyl)quinolin-4-amine?
The IUPAC name of 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-thiophen-3-yl-4-pyridinyl)quinolin-4-amine (CID 164628856) is 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-thiophen-3-yl-4-pyridinyl)quinolin-4-amine.
What is the SMILES notation for 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-thiophen-3-yl-4-pyridinyl)quinolin-4-amine?
The canonical SMILES for 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-thiophen-3-yl-4-pyridinyl)quinolin-4-amine is CN(C)CCn1cc(-c2ccc3c(Nc4ccnc(-c5ccsc5)c4)ccnc3c2)cn1.
What is the InChIKey of 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-thiophen-3-yl-4-pyridinyl)quinolin-4-amine?
The InChIKey is QDRFBFCKKOITJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6S/c1-30(2)10-11-31-16-20(15-28-31)18-3-4-22-23(6-9-27-25(22)13-18)29-21-5-8-26-24(14-21)19-7-12-32-17-19/h3-9,12-17H,10-11H2,1-2H3,(H,26,27,29).
What are the key properties of 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-thiophen-3-yl-4-pyridinyl)quinolin-4-amine?
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-thiophen-3-yl-4-pyridinyl)quinolin-4-amine has a molecular weight of 440.58 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-thiophen-3-yl-4-pyridinyl)quinolin-4-amine is sourced from PubChem (CID 164628856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).