8-[3-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]-6-propan-2-ylquinoline

C25H24N2 — CID 22083707

IUPAC8-[3-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]-6-propan-2-ylquinoline
SMILESCC(C)c1cc(-c2cccc(/C=C/c3cccn3C)c2)c2ncccc2c1
InChIInChI=1S/C25H24N2/c1-18(2)22-16-21-9-5-13-26-25(21)24(17-22)20-8-4-7-19(15-20)11-12-23-10-6-14-27(23)3/h4-18H,1-3H3/b12-11+
InChIKeyOSQAIAFSYHULID-VAWYXSNFSA-N
MW352.48 g/mol
LogP6.53
Rot. Bonds4

About 8-[3-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]-6-propan-2-ylquinoline

8-[3-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]-6-propan-2-ylquinoline (PubChem CID 22083707) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 8-[3-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]-6-propan-2-ylquinoline.

Molecular Properties

Compound Name8-[3-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]-6-propan-2-ylquinoline
PubChem CID22083707
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Name8-[3-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]-6-propan-2-ylquinoline
SMILESCC(C)c1cc(-c2cccc(/C=C/c3cccn3C)c2)c2ncccc2c1
InChIInChI=1S/C25H24N2/c1-18(2)22-16-21-9-5-13-26-25(21)24(17-22)20-8-4-7-19(15-20)11-12-23-10-6-14-27(23)3/h4-18H,1-3H3/b12-11+
InChIKeyOSQAIAFSYHULID-VAWYXSNFSA-N
XLogP6.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[3-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]-6-propan-2-ylquinoline?
The IUPAC name of 8-[3-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]-6-propan-2-ylquinoline (CID 22083707) is 8-[3-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]-6-propan-2-ylquinoline.
What is the SMILES notation for 8-[3-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]-6-propan-2-ylquinoline?
The canonical SMILES for 8-[3-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]-6-propan-2-ylquinoline is CC(C)c1cc(-c2cccc(/C=C/c3cccn3C)c2)c2ncccc2c1.
What is the InChIKey of 8-[3-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]-6-propan-2-ylquinoline?
The InChIKey is OSQAIAFSYHULID-VAWYXSNFSA-N. The full InChI is InChI=1S/C25H24N2/c1-18(2)22-16-21-9-5-13-26-25(21)24(17-22)20-8-4-7-19(15-20)11-12-23-10-6-14-27(23)3/h4-18H,1-3H3/b12-11+.
What are the key properties of 8-[3-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]-6-propan-2-ylquinoline?
8-[3-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]-6-propan-2-ylquinoline has a molecular weight of 352.48 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]-6-propan-2-ylquinoline is sourced from PubChem (CID 22083707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).