2-[[4-phenyl-6-(3-propylphenyl)quinolin-2-yl]amino]acetic acid

C26H24N2O2 — CID 175802370

IUPAC2-[[4-phenyl-6-(3-propylphenyl)quinolin-2-yl]amino]acetic acid
SMILESCCCc1cccc(-c2ccc3nc(NCC(=O)O)cc(-c4ccccc4)c3c2)c1
InChIInChI=1S/C26H24N2O2/c1-2-7-18-8-6-11-20(14-18)21-12-13-24-23(15-21)22(19-9-4-3-5-10-19)16-25(28-24)27-17-26(29)30/h3-6,8-16H,2,7,17H2,1H3,(H,27,28)(H,29,30)
InChIKeyZCWPIBKWNJDWMR-UHFFFAOYSA-N
MW396.49 g/mol
LogP6.02
Rot. Bonds7

About 2-[[4-phenyl-6-(3-propylphenyl)quinolin-2-yl]amino]acetic acid

2-[[4-phenyl-6-(3-propylphenyl)quinolin-2-yl]amino]acetic acid (PubChem CID 175802370) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[[4-phenyl-6-(3-propylphenyl)quinolin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-phenyl-6-(3-propylphenyl)quinolin-2-yl]amino]acetic acid
PubChem CID175802370
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name2-[[4-phenyl-6-(3-propylphenyl)quinolin-2-yl]amino]acetic acid
SMILESCCCc1cccc(-c2ccc3nc(NCC(=O)O)cc(-c4ccccc4)c3c2)c1
InChIInChI=1S/C26H24N2O2/c1-2-7-18-8-6-11-20(14-18)21-12-13-24-23(15-21)22(19-9-4-3-5-10-19)16-25(28-24)27-17-26(29)30/h3-6,8-16H,2,7,17H2,1H3,(H,27,28)(H,29,30)
InChIKeyZCWPIBKWNJDWMR-UHFFFAOYSA-N
XLogP6.02
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[6-(2-oxoethyl)-4-phenylquinolin-2-yl]amino]acetic acid
CID 175802341
1-phenyl-3-propylbenzene
CID 4110465
4,5-dihydro-1,2-oxazole-3-carboxylic acid;1-phenyl-3-propylbenzene
CID 157335604
acetamide;ethane;N-[[4-(3-propylphenyl)phenyl]methyl]acetamide
CID 156747649
2-[[6-(4-ethylphenyl)-4-phenylquinolin-2-yl]-methylamino]acetic acid
CID 156809342
2-(3-butylphenyl)-4-phenylquinoline
CID 141357650
2-methyl-2-(6-pentyl-4-phenylquinolin-2-yl)sulfanylpropanoic acid
CID 178121559
4-phenyl-2-(3-propylphenyl)pyridine
CID 144632078
N-methyl-6-(3-propylphenyl)pyridin-2-amine
CID 116546076
N-[4-[2-(2-aminopentan-2-yl)quinolin-6-yl]quinolin-2-yl]acetamide
CID 154340588
[3-(4-propylphenyl)phenyl]methanol
CID 1393732
2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine
CID 116546086

Frequently Asked Questions

What is the IUPAC name of 2-[[4-phenyl-6-(3-propylphenyl)quinolin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[4-phenyl-6-(3-propylphenyl)quinolin-2-yl]amino]acetic acid (CID 175802370) is 2-[[4-phenyl-6-(3-propylphenyl)quinolin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-phenyl-6-(3-propylphenyl)quinolin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-phenyl-6-(3-propylphenyl)quinolin-2-yl]amino]acetic acid is CCCc1cccc(-c2ccc3nc(NCC(=O)O)cc(-c4ccccc4)c3c2)c1.
What is the InChIKey of 2-[[4-phenyl-6-(3-propylphenyl)quinolin-2-yl]amino]acetic acid?
The InChIKey is ZCWPIBKWNJDWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-2-7-18-8-6-11-20(14-18)21-12-13-24-23(15-21)22(19-9-4-3-5-10-19)16-25(28-24)27-17-26(29)30/h3-6,8-16H,2,7,17H2,1H3,(H,27,28)(H,29,30).
What are the key properties of 2-[[4-phenyl-6-(3-propylphenyl)quinolin-2-yl]amino]acetic acid?
2-[[4-phenyl-6-(3-propylphenyl)quinolin-2-yl]amino]acetic acid has a molecular weight of 396.49 g/mol, XLogP of 6.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-phenyl-6-(3-propylphenyl)quinolin-2-yl]amino]acetic acid is sourced from PubChem (CID 175802370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).