3-[(2-phenyl-3-pyridin-4-ylquinolin-4-yl)amino]propanoic acid

C23H19N3O2 — CID 139651637

IUPAC3-[(2-phenyl-3-pyridin-4-ylquinolin-4-yl)amino]propanoic acid
SMILESO=C(O)CCNc1c(-c2ccncc2)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H19N3O2/c27-20(28)12-15-25-23-18-8-4-5-9-19(18)26-22(17-6-2-1-3-7-17)21(23)16-10-13-24-14-11-16/h1-11,13-14H,12,15H2,(H,25,26)(H,27,28)
InChIKeyDIWHEFZLGQUDNQ-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.85
Rot. Bonds6

About 3-[(2-phenyl-3-pyridin-4-ylquinolin-4-yl)amino]propanoic acid

3-[(2-phenyl-3-pyridin-4-ylquinolin-4-yl)amino]propanoic acid (PubChem CID 139651637) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-[(2-phenyl-3-pyridin-4-ylquinolin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-phenyl-3-pyridin-4-ylquinolin-4-yl)amino]propanoic acid
PubChem CID139651637
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name3-[(2-phenyl-3-pyridin-4-ylquinolin-4-yl)amino]propanoic acid
SMILESO=C(O)CCNc1c(-c2ccncc2)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H19N3O2/c27-20(28)12-15-25-23-18-8-4-5-9-19(18)26-22(17-6-2-1-3-7-17)21(23)16-10-13-24-14-11-16/h1-11,13-14H,12,15H2,(H,25,26)(H,27,28)
InChIKeyDIWHEFZLGQUDNQ-UHFFFAOYSA-N
XLogP4.85
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(acridin-9-ylamino)ethylamino]propanoic acid
CID 71513367
4-methoxy-2-phenyl-3-pyridin-4-ylquinoline
CID 139651635
3-fluoro-2-phenyl-N-pyridin-4-ylquinolin-4-amine
CID 11301504
2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid
CID 110432578
4-chloro-2-(4-fluorophenyl)-3-pyridin-4-ylquinoline
CID 139651658
3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid
CID 7728857
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
3-[(6-nitro-4-phenylquinazolin-2-yl)amino]propanoic acid
CID 6426193
3-[[4-(4-methylphenyl)phthalazin-1-yl]amino]propanoic acid
CID 82192890
methyl 2-(2,4-diphenylquinolin-3-yl)sulfanylacetate
CID 73356894
3-[(2-propylquinolin-4-yl)amino]propanoic acid
CID 122048260
4-chloro-6-fluoro-2-phenyl-3-pyridin-4-ylquinoline
CID 139651657

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenyl-3-pyridin-4-ylquinolin-4-yl)amino]propanoic acid?
The IUPAC name of 3-[(2-phenyl-3-pyridin-4-ylquinolin-4-yl)amino]propanoic acid (CID 139651637) is 3-[(2-phenyl-3-pyridin-4-ylquinolin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-phenyl-3-pyridin-4-ylquinolin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[(2-phenyl-3-pyridin-4-ylquinolin-4-yl)amino]propanoic acid is O=C(O)CCNc1c(-c2ccncc2)c(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 3-[(2-phenyl-3-pyridin-4-ylquinolin-4-yl)amino]propanoic acid?
The InChIKey is DIWHEFZLGQUDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-20(28)12-15-25-23-18-8-4-5-9-19(18)26-22(17-6-2-1-3-7-17)21(23)16-10-13-24-14-11-16/h1-11,13-14H,12,15H2,(H,25,26)(H,27,28).
What are the key properties of 3-[(2-phenyl-3-pyridin-4-ylquinolin-4-yl)amino]propanoic acid?
3-[(2-phenyl-3-pyridin-4-ylquinolin-4-yl)amino]propanoic acid has a molecular weight of 369.42 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenyl-3-pyridin-4-ylquinolin-4-yl)amino]propanoic acid is sourced from PubChem (CID 139651637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).