4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline

C24H17N3 — CID 22352423

IUPAC4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline
SMILESC(=C/c1n[nH]c2ccc(-c3ccnc4ccccc34)cc12)\c1ccccc1
InChIInChI=1S/C24H17N3/c1-2-6-17(7-3-1)10-12-23-21-16-18(11-13-24(21)27-26-23)19-14-15-25-22-9-5-4-8-20(19)22/h1-16H,(H,26,27)/b12-10+
InChIKeyPUKDNLBVUXNXHN-ZRDIBKRKSA-N
MW347.42 g/mol
LogP5.95
Rot. Bonds3

About 4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline

4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline (PubChem CID 22352423) has the molecular formula C24H17N3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline.

Molecular Properties

Compound Name4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline
PubChem CID22352423
Molecular FormulaC24H17N3
Molecular Weight347.42 g/mol
Exact Mass347.14
IUPAC Name4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline
SMILESC(=C/c1n[nH]c2ccc(-c3ccnc4ccccc34)cc12)\c1ccccc1
InChIInChI=1S/C24H17N3/c1-2-6-17(7-3-1)10-12-23-21-16-18(11-13-24(21)27-26-23)19-14-15-25-22-9-5-4-8-20(19)22/h1-16H,(H,26,27)/b12-10+
InChIKeyPUKDNLBVUXNXHN-ZRDIBKRKSA-N
XLogP5.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.42
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline?
The IUPAC name of 4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline (CID 22352423) is 4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline.
What is the SMILES notation for 4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline?
The canonical SMILES for 4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline is C(=C/c1n[nH]c2ccc(-c3ccnc4ccccc34)cc12)\c1ccccc1.
What is the InChIKey of 4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline?
The InChIKey is PUKDNLBVUXNXHN-ZRDIBKRKSA-N. The full InChI is InChI=1S/C24H17N3/c1-2-6-17(7-3-1)10-12-23-21-16-18(11-13-24(21)27-26-23)19-14-15-25-22-9-5-4-8-20(19)22/h1-16H,(H,26,27)/b12-10+.
What are the key properties of 4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline?
4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline has a molecular weight of 347.42 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline is sourced from PubChem (CID 22352423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).