7-fluoro-2-[2-(8-fluoro-4-methylquinazolin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole

C21H16F2N4 — CID 71515456

IUPAC7-fluoro-2-[2-(8-fluoro-4-methylquinazolin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole
SMILESCc1nc(CCc2cn3c(n2)-c2ccc(F)cc2C3)nc2c(F)cccc12
InChIInChI=1S/C21H16F2N4/c1-12-16-3-2-4-18(23)20(16)26-19(24-12)8-6-15-11-27-10-13-9-14(22)5-7-17(13)21(27)25-15/h2-5,7,9,11H,6,8,10H2,1H3
InChIKeyWZUOBWRKAFOEDQ-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.23
Rot. Bonds3

About 7-fluoro-2-[2-(8-fluoro-4-methylquinazolin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole

7-fluoro-2-[2-(8-fluoro-4-methylquinazolin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole (PubChem CID 71515456) has the molecular formula C21H16F2N4 and a molecular weight of 362.38 g/mol. Its IUPAC name is 7-fluoro-2-[2-(8-fluoro-4-methylquinazolin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole.

Molecular Properties

Compound Name7-fluoro-2-[2-(8-fluoro-4-methylquinazolin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole
PubChem CID71515456
Molecular FormulaC21H16F2N4
Molecular Weight362.38 g/mol
Exact Mass362.13
IUPAC Name7-fluoro-2-[2-(8-fluoro-4-methylquinazolin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole
SMILESCc1nc(CCc2cn3c(n2)-c2ccc(F)cc2C3)nc2c(F)cccc12
InChIInChI=1S/C21H16F2N4/c1-12-16-3-2-4-18(23)20(16)26-19(24-12)8-6-15-11-27-10-13-9-14(22)5-7-17(13)21(27)25-15/h2-5,7,9,11H,6,8,10H2,1H3
InChIKeyWZUOBWRKAFOEDQ-UHFFFAOYSA-N
XLogP4.23
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[2-(8-fluoro-4-methylquinazolin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole?
The IUPAC name of 7-fluoro-2-[2-(8-fluoro-4-methylquinazolin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole (CID 71515456) is 7-fluoro-2-[2-(8-fluoro-4-methylquinazolin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole.
What is the SMILES notation for 7-fluoro-2-[2-(8-fluoro-4-methylquinazolin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole?
The canonical SMILES for 7-fluoro-2-[2-(8-fluoro-4-methylquinazolin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole is Cc1nc(CCc2cn3c(n2)-c2ccc(F)cc2C3)nc2c(F)cccc12.
What is the InChIKey of 7-fluoro-2-[2-(8-fluoro-4-methylquinazolin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole?
The InChIKey is WZUOBWRKAFOEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4/c1-12-16-3-2-4-18(23)20(16)26-19(24-12)8-6-15-11-27-10-13-9-14(22)5-7-17(13)21(27)25-15/h2-5,7,9,11H,6,8,10H2,1H3.
What are the key properties of 7-fluoro-2-[2-(8-fluoro-4-methylquinazolin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole?
7-fluoro-2-[2-(8-fluoro-4-methylquinazolin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole has a molecular weight of 362.38 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-[2-(8-fluoro-4-methylquinazolin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole is sourced from PubChem (CID 71515456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).