(E)-7-(4-phenylquinolin-2-yl)hept-6-enoic acid

C22H21NO2 — CID 10088090

IUPAC(E)-7-(4-phenylquinolin-2-yl)hept-6-enoic acid
SMILESO=C(O)CCCC/C=C/c1cc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C22H21NO2/c24-22(25)15-7-2-1-6-12-18-16-20(17-10-4-3-5-11-17)19-13-8-9-14-21(19)23-18/h3-6,8-14,16H,1-2,7,15H2,(H,24,25)/b12-6+
InChIKeyXCKISKFKUHZRIZ-WUXMJOGZSA-N
MW331.42 g/mol
LogP5.56
Rot. Bonds7

About (E)-7-(4-phenylquinolin-2-yl)hept-6-enoic acid

(E)-7-(4-phenylquinolin-2-yl)hept-6-enoic acid (PubChem CID 10088090) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (E)-7-(4-phenylquinolin-2-yl)hept-6-enoic acid.

Molecular Properties

Compound Name(E)-7-(4-phenylquinolin-2-yl)hept-6-enoic acid
PubChem CID10088090
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name(E)-7-(4-phenylquinolin-2-yl)hept-6-enoic acid
SMILESO=C(O)CCCC/C=C/c1cc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C22H21NO2/c24-22(25)15-7-2-1-6-12-18-16-20(17-10-4-3-5-11-17)19-13-8-9-14-21(19)23-18/h3-6,8-14,16H,1-2,7,15H2,(H,24,25)/b12-6+
InChIKeyXCKISKFKUHZRIZ-WUXMJOGZSA-N
XLogP5.56
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 8593
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3-(2-Quinolinyl)-2-propenoic acid
CID 712919
2-([1,1'-Biphenyl]-4-yl)quinoline-4-carboxylic Acid
CID 2063288
Acridine-9-carboxylic acid
CID 94721
3-Methyl-2-phenylquinoline-4-carboxylic acid
CID 673710
2-(4-Cyclohexylphenyl)quinoline-4-carboxylic acid
CID 1830299
2-Methylquinoline-4-carboxylic acid
CID 604442
2-(4-Methylphenyl)quinoline-4-carboxylic acid
CID 621867
1,2,3,4-Tetrahydro-9-acridinecarboxylic acid
CID 96891
2-(4-Isopropylphenyl)quinoline-4-carboxylic acid
CID 623973

Frequently Asked Questions

What is the IUPAC name of (E)-7-(4-phenylquinolin-2-yl)hept-6-enoic acid?
The IUPAC name of (E)-7-(4-phenylquinolin-2-yl)hept-6-enoic acid (CID 10088090) is (E)-7-(4-phenylquinolin-2-yl)hept-6-enoic acid.
What is the SMILES notation for (E)-7-(4-phenylquinolin-2-yl)hept-6-enoic acid?
The canonical SMILES for (E)-7-(4-phenylquinolin-2-yl)hept-6-enoic acid is O=C(O)CCCC/C=C/c1cc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of (E)-7-(4-phenylquinolin-2-yl)hept-6-enoic acid?
The InChIKey is XCKISKFKUHZRIZ-WUXMJOGZSA-N. The full InChI is InChI=1S/C22H21NO2/c24-22(25)15-7-2-1-6-12-18-16-20(17-10-4-3-5-11-17)19-13-8-9-14-21(19)23-18/h3-6,8-14,16H,1-2,7,15H2,(H,24,25)/b12-6+.
What are the key properties of (E)-7-(4-phenylquinolin-2-yl)hept-6-enoic acid?
(E)-7-(4-phenylquinolin-2-yl)hept-6-enoic acid has a molecular weight of 331.42 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-(4-phenylquinolin-2-yl)hept-6-enoic acid is sourced from PubChem (CID 10088090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).