3-[3-[ethyl(quinolin-2-yl)amino]phenyl]propanoic acid

C20H20N2O2 — CID 126842976

IUPAC3-[3-[ethyl(quinolin-2-yl)amino]phenyl]propanoic acid
SMILESCCN(c1cccc(CCC(=O)O)c1)c1ccc2ccccc2n1
InChIInChI=1S/C20H20N2O2/c1-2-22(17-8-5-6-15(14-17)10-13-20(23)24)19-12-11-16-7-3-4-9-18(16)21-19/h3-9,11-12,14H,2,10,13H2,1H3,(H,23,24)
InChIKeyCGGUWDMVJGUARS-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.41
Rot. Bonds6

About 3-[3-[ethyl(quinolin-2-yl)amino]phenyl]propanoic acid

3-[3-[ethyl(quinolin-2-yl)amino]phenyl]propanoic acid (PubChem CID 126842976) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-[3-[ethyl(quinolin-2-yl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[ethyl(quinolin-2-yl)amino]phenyl]propanoic acid
PubChem CID126842976
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name3-[3-[ethyl(quinolin-2-yl)amino]phenyl]propanoic acid
SMILESCCN(c1cccc(CCC(=O)O)c1)c1ccc2ccccc2n1
InChIInChI=1S/C20H20N2O2/c1-2-22(17-8-5-6-15(14-17)10-13-20(23)24)19-12-11-16-7-3-4-9-18(16)21-19/h3-9,11-12,14H,2,10,13H2,1H3,(H,23,24)
InChIKeyCGGUWDMVJGUARS-UHFFFAOYSA-N
XLogP4.41
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[ethyl(quinoxalin-2-yl)amino]phenyl]propanoic acid
CID 141434982
4-[methyl(quinolin-2-yl)amino]butanoic acid
CID 43329714
3-[3-[acetyl(methyl)amino]phenyl]propanoic acid
CID 28760016
lanthanum;3-phenylpropanoic acid
CID 174887955
2-[ethyl(quinolin-2-yl)amino]-2-methylpropanoic acid
CID 62818559
3-[3-[[3-phenylpropyl(propanoyl)amino]methyl]phenyl]propanoic acid
CID 59509204
ethane;3-[3-[[3-phenylpropyl(propanoyl)amino]methyl]phenyl]propanoic acid
CID 169427528
3-[3-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid
CID 14375
N-phenyl-N-propan-2-ylquinolin-2-amine
CID 59282154
3-(4-acridin-1-yl-3,5-dibromophenyl)propanoic acid
CID 139950916
3-[3-[[butyl(methyl)amino]methyl]phenyl]propanoic acid
CID 84758615
3-(N-quinolin-2-ylanilino)propanimidamide
CID 24701549

Frequently Asked Questions

What is the IUPAC name of 3-[3-[ethyl(quinolin-2-yl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[3-[ethyl(quinolin-2-yl)amino]phenyl]propanoic acid (CID 126842976) is 3-[3-[ethyl(quinolin-2-yl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[ethyl(quinolin-2-yl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[ethyl(quinolin-2-yl)amino]phenyl]propanoic acid is CCN(c1cccc(CCC(=O)O)c1)c1ccc2ccccc2n1.
What is the InChIKey of 3-[3-[ethyl(quinolin-2-yl)amino]phenyl]propanoic acid?
The InChIKey is CGGUWDMVJGUARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-22(17-8-5-6-15(14-17)10-13-20(23)24)19-12-11-16-7-3-4-9-18(16)21-19/h3-9,11-12,14H,2,10,13H2,1H3,(H,23,24).
What are the key properties of 3-[3-[ethyl(quinolin-2-yl)amino]phenyl]propanoic acid?
3-[3-[ethyl(quinolin-2-yl)amino]phenyl]propanoic acid has a molecular weight of 320.39 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[ethyl(quinolin-2-yl)amino]phenyl]propanoic acid is sourced from PubChem (CID 126842976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).