4-[3-(2-phenylethyl)-2H-indazol-5-yl]quinoline

C24H19N3 — CID 20580711

IUPAC4-[3-(2-phenylethyl)-2H-indazol-5-yl]quinoline
SMILESc1ccc(CCc2[nH]nc3ccc(-c4ccnc5ccccc45)cc23)cc1
InChIInChI=1S/C24H19N3/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/h1-9,11,13-16H,10,12H2,(H,26,27)
InChIKeyODVSSILNDXBTAE-UHFFFAOYSA-N
MW349.44 g/mol
LogP5.56
Rot. Bonds4

About 4-[3-(2-phenylethyl)-2H-indazol-5-yl]quinoline

4-[3-(2-phenylethyl)-2H-indazol-5-yl]quinoline (PubChem CID 20580711) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[3-(2-phenylethyl)-2H-indazol-5-yl]quinoline.

Molecular Properties

Compound Name4-[3-(2-phenylethyl)-2H-indazol-5-yl]quinoline
PubChem CID20580711
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name4-[3-(2-phenylethyl)-2H-indazol-5-yl]quinoline
SMILESc1ccc(CCc2[nH]nc3ccc(-c4ccnc5ccccc45)cc23)cc1
InChIInChI=1S/C24H19N3/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/h1-9,11,13-16H,10,12H2,(H,26,27)
InChIKeyODVSSILNDXBTAE-UHFFFAOYSA-N
XLogP5.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-quinolin-4-ylphenyl)ethanamine
CID 110282335
3-[2-(4-fluorophenyl)ethyl]-2H-indazole
CID 141075671
4-naphthalen-2-ylquinoline
CID 14173372
4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline
CID 22352423
4-(1H-indazol-5-yl)quinoline
CID 139407455
3-[2-(4-methylphenyl)ethyl]-5-(1H-1,2,4-triazol-5-yl)-2H-indazole
CID 142209039
N-[2-(3-pyridin-2-yl-4-quinolin-4-yl-1H-pyrazol-5-yl)ethyl]aniline
CID 67259171
4-(3-benzyl-2H-indazol-5-yl)-5-tert-butyl-1,2-thiazole
CID 173218734
4-[3-(2,3-diphenylphenyl)phenyl]quinoline
CID 175299153
4-(3-methylphenyl)quinoline
CID 146587179
4-(3-fluorophenyl)quinoline
CID 141309372
4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline
CID 118582443

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-phenylethyl)-2H-indazol-5-yl]quinoline?
The IUPAC name of 4-[3-(2-phenylethyl)-2H-indazol-5-yl]quinoline (CID 20580711) is 4-[3-(2-phenylethyl)-2H-indazol-5-yl]quinoline.
What is the SMILES notation for 4-[3-(2-phenylethyl)-2H-indazol-5-yl]quinoline?
The canonical SMILES for 4-[3-(2-phenylethyl)-2H-indazol-5-yl]quinoline is c1ccc(CCc2[nH]nc3ccc(-c4ccnc5ccccc45)cc23)cc1.
What is the InChIKey of 4-[3-(2-phenylethyl)-2H-indazol-5-yl]quinoline?
The InChIKey is ODVSSILNDXBTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3/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/h1-9,11,13-16H,10,12H2,(H,26,27).
What are the key properties of 4-[3-(2-phenylethyl)-2H-indazol-5-yl]quinoline?
4-[3-(2-phenylethyl)-2H-indazol-5-yl]quinoline has a molecular weight of 349.44 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-phenylethyl)-2H-indazol-5-yl]quinoline is sourced from PubChem (CID 20580711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).