2-(3-chlorothiophen-2-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline

C20H17ClN6S — CID 91964555

IUPAC2-(3-chlorothiophen-2-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline
SMILESClc1ccsc1-c1nc(N2CCN(c3ncccn3)CC2)c2ccccc2n1
InChIInChI=1S/C20H17ClN6S/c21-15-6-13-28-17(15)18-24-16-5-2-1-4-14(16)19(25-18)26-9-11-27(12-10-26)20-22-7-3-8-23-20/h1-8,13H,9-12H2
InChIKeyDWQIOCFYTURHBU-UHFFFAOYSA-N
MW408.92 g/mol
LogP4.13
Rot. Bonds3

About 2-(3-chlorothiophen-2-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline

2-(3-chlorothiophen-2-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline (PubChem CID 91964555) has the molecular formula C20H17ClN6S and a molecular weight of 408.92 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline
PubChem CID91964555
Molecular FormulaC20H17ClN6S
Molecular Weight408.92 g/mol
Exact Mass408.09
IUPAC Name2-(3-chlorothiophen-2-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline
SMILESClc1ccsc1-c1nc(N2CCN(c3ncccn3)CC2)c2ccccc2n1
InChIInChI=1S/C20H17ClN6S/c21-15-6-13-28-17(15)18-24-16-5-2-1-4-14(16)19(25-18)26-9-11-27(12-10-26)20-22-7-3-8-23-20/h1-8,13H,9-12H2
InChIKeyDWQIOCFYTURHBU-UHFFFAOYSA-N
XLogP4.13
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.92
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-chlorothiophen-2-yl)-4-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]quinazoline
CID 91964542
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline
CID 26440749
2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline
CID 914453
2-[1-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476729
4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 112814910
4-(4-benzhydrylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
CID 91964409
4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylquinazoline
CID 133458583
2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline
CID 55377922
2-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline
CID 22692821
2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline
CID 914636
2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
CID 659763
2-(3-chlorothiophen-2-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine
CID 91964585

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline (CID 91964555) is 2-(3-chlorothiophen-2-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline is Clc1ccsc1-c1nc(N2CCN(c3ncccn3)CC2)c2ccccc2n1.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline?
The InChIKey is DWQIOCFYTURHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6S/c21-15-6-13-28-17(15)18-24-16-5-2-1-4-14(16)19(25-18)26-9-11-27(12-10-26)20-22-7-3-8-23-20/h1-8,13H,9-12H2.
What are the key properties of 2-(3-chlorothiophen-2-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline?
2-(3-chlorothiophen-2-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline has a molecular weight of 408.92 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 91964555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).