6-[(E)-2-(1H-indazol-5-yl)ethenyl]-4-prop-1-en-2-ylquinoline

C21H17N3 — CID 163628297

IUPAC6-[(E)-2-(1H-indazol-5-yl)ethenyl]-4-prop-1-en-2-ylquinoline
SMILESC=C(C)c1ccnc2ccc(/C=C/c3ccc4[nH]ncc4c3)cc12
InChIInChI=1S/C21H17N3/c1-14(2)18-9-10-22-21-8-6-16(12-19(18)21)4-3-15-5-7-20-17(11-15)13-23-24-20/h3-13H,1H2,2H3,(H,23,24)/b4-3+
InChIKeyHTWFIORNZQIXSA-ONEGZZNKSA-N
MW311.39 g/mol
LogP5.31
Rot. Bonds3

About 6-[(E)-2-(1H-indazol-5-yl)ethenyl]-4-prop-1-en-2-ylquinoline

6-[(E)-2-(1H-indazol-5-yl)ethenyl]-4-prop-1-en-2-ylquinoline (PubChem CID 163628297) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-[(E)-2-(1H-indazol-5-yl)ethenyl]-4-prop-1-en-2-ylquinoline.

Molecular Properties

Compound Name6-[(E)-2-(1H-indazol-5-yl)ethenyl]-4-prop-1-en-2-ylquinoline
PubChem CID163628297
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name6-[(E)-2-(1H-indazol-5-yl)ethenyl]-4-prop-1-en-2-ylquinoline
SMILESC=C(C)c1ccnc2ccc(/C=C/c3ccc4[nH]ncc4c3)cc12
InChIInChI=1S/C21H17N3/c1-14(2)18-9-10-22-21-8-6-16(12-19(18)21)4-3-15-5-7-20-17(11-15)13-23-24-20/h3-13H,1H2,2H3,(H,23,24)/b4-3+
InChIKeyHTWFIORNZQIXSA-ONEGZZNKSA-N
XLogP5.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.39
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-(1H-indazol-5-yl)but-3-en-1-ol
CID 170476685
N-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide
CID 169465579
4-(1H-indazol-5-yl)quinoline
CID 139407455
(Z)-2-fluoro-3-(1H-indazol-5-yl)prop-2-enenitrile
CID 119090550
6-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid
CID 175216449
2-cyano-3-(1H-indazol-5-yl)-N,N-dimethylprop-2-enamide
CID 67207778
5-(2-methyl-4-pyridinyl)-1H-indazole
CID 143158050
6-[(E)-2-quinolin-6-ylethenyl]quinoline
CID 23251154
ethane;5-methyl-1H-indazole
CID 178026047
2-(6-methoxyquinolin-4-yl)prop-2-enal
CID 135363147
(NE)-N-[1-(1H-indazol-5-yl)ethylidene]hydroxylamine
CID 87086002
6-(5-methyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 154942037

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(1H-indazol-5-yl)ethenyl]-4-prop-1-en-2-ylquinoline?
The IUPAC name of 6-[(E)-2-(1H-indazol-5-yl)ethenyl]-4-prop-1-en-2-ylquinoline (CID 163628297) is 6-[(E)-2-(1H-indazol-5-yl)ethenyl]-4-prop-1-en-2-ylquinoline.
What is the SMILES notation for 6-[(E)-2-(1H-indazol-5-yl)ethenyl]-4-prop-1-en-2-ylquinoline?
The canonical SMILES for 6-[(E)-2-(1H-indazol-5-yl)ethenyl]-4-prop-1-en-2-ylquinoline is C=C(C)c1ccnc2ccc(/C=C/c3ccc4[nH]ncc4c3)cc12.
What is the InChIKey of 6-[(E)-2-(1H-indazol-5-yl)ethenyl]-4-prop-1-en-2-ylquinoline?
The InChIKey is HTWFIORNZQIXSA-ONEGZZNKSA-N. The full InChI is InChI=1S/C21H17N3/c1-14(2)18-9-10-22-21-8-6-16(12-19(18)21)4-3-15-5-7-20-17(11-15)13-23-24-20/h3-13H,1H2,2H3,(H,23,24)/b4-3+.
What are the key properties of 6-[(E)-2-(1H-indazol-5-yl)ethenyl]-4-prop-1-en-2-ylquinoline?
6-[(E)-2-(1H-indazol-5-yl)ethenyl]-4-prop-1-en-2-ylquinoline has a molecular weight of 311.39 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(1H-indazol-5-yl)ethenyl]-4-prop-1-en-2-ylquinoline is sourced from PubChem (CID 163628297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).