8-chloro-6-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4-thiophen-2-ylquinazoline

C24H18ClFN4S — CID 71544618

IUPAC8-chloro-6-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4-thiophen-2-ylquinazoline
SMILESCn1cc(-c2ccccc2)nc1CCc1nc(-c2cccs2)c2cc(F)cc(Cl)c2n1
InChIInChI=1S/C24H18ClFN4S/c1-30-14-19(15-6-3-2-4-7-15)27-22(30)10-9-21-28-23-17(12-16(26)13-18(23)25)24(29-21)20-8-5-11-31-20/h2-8,11-14H,9-10H2,1H3
InChIKeyWUFYSHZGDGTGBL-UHFFFAOYSA-N
MW448.95 g/mol
LogP6.34
Rot. Bonds5

About 8-chloro-6-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4-thiophen-2-ylquinazoline

8-chloro-6-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4-thiophen-2-ylquinazoline (PubChem CID 71544618) has the molecular formula C24H18ClFN4S and a molecular weight of 448.95 g/mol. Its IUPAC name is 8-chloro-6-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4-thiophen-2-ylquinazoline.

Molecular Properties

Compound Name8-chloro-6-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4-thiophen-2-ylquinazoline
PubChem CID71544618
Molecular FormulaC24H18ClFN4S
Molecular Weight448.95 g/mol
Exact Mass448.09
IUPAC Name8-chloro-6-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4-thiophen-2-ylquinazoline
SMILESCn1cc(-c2ccccc2)nc1CCc1nc(-c2cccs2)c2cc(F)cc(Cl)c2n1
InChIInChI=1S/C24H18ClFN4S/c1-30-14-19(15-6-3-2-4-7-15)27-22(30)10-9-21-28-23-17(12-16(26)13-18(23)25)24(29-21)20-8-5-11-31-20/h2-8,11-14H,9-10H2,1H3
InChIKeyWUFYSHZGDGTGBL-UHFFFAOYSA-N
XLogP6.34
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.95
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4-thiophen-2-ylquinazoline?
The IUPAC name of 8-chloro-6-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4-thiophen-2-ylquinazoline (CID 71544618) is 8-chloro-6-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4-thiophen-2-ylquinazoline.
What is the SMILES notation for 8-chloro-6-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4-thiophen-2-ylquinazoline?
The canonical SMILES for 8-chloro-6-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4-thiophen-2-ylquinazoline is Cn1cc(-c2ccccc2)nc1CCc1nc(-c2cccs2)c2cc(F)cc(Cl)c2n1.
What is the InChIKey of 8-chloro-6-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4-thiophen-2-ylquinazoline?
The InChIKey is WUFYSHZGDGTGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4S/c1-30-14-19(15-6-3-2-4-7-15)27-22(30)10-9-21-28-23-17(12-16(26)13-18(23)25)24(29-21)20-8-5-11-31-20/h2-8,11-14H,9-10H2,1H3.
What are the key properties of 8-chloro-6-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4-thiophen-2-ylquinazoline?
8-chloro-6-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4-thiophen-2-ylquinazoline has a molecular weight of 448.95 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4-thiophen-2-ylquinazoline is sourced from PubChem (CID 71544618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).