2-[[2-[4-(2-ethoxyphenyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]amino]propanoic acid

C24H22N4O3 — CID 171346186

IUPAC2-[[2-[4-(2-ethoxyphenyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]amino]propanoic acid
SMILESCCOc1ccccc1-c1ccc(-c2nc(NC(C)C(=O)O)c3ccncc3n2)cc1
InChIInChI=1S/C24H22N4O3/c1-3-31-21-7-5-4-6-18(21)16-8-10-17(11-9-16)22-27-20-14-25-13-12-19(20)23(28-22)26-15(2)24(29)30/h4-15H,3H2,1-2H3,(H,29,30)(H,26,27,28)
InChIKeyWWKNQXXAPDFHNU-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.64
Rot. Bonds7

About 2-[[2-[4-(2-ethoxyphenyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]amino]propanoic acid

2-[[2-[4-(2-ethoxyphenyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]amino]propanoic acid (PubChem CID 171346186) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-[[2-[4-(2-ethoxyphenyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[4-(2-ethoxyphenyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]amino]propanoic acid
PubChem CID171346186
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name2-[[2-[4-(2-ethoxyphenyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]amino]propanoic acid
SMILESCCOc1ccccc1-c1ccc(-c2nc(NC(C)C(=O)O)c3ccncc3n2)cc1
InChIInChI=1S/C24H22N4O3/c1-3-31-21-7-5-4-6-18(21)16-8-10-17(11-9-16)22-27-20-14-25-13-12-19(20)23(28-22)26-15(2)24(29)30/h4-15H,3H2,1-2H3,(H,29,30)(H,26,27,28)
InChIKeyWWKNQXXAPDFHNU-UHFFFAOYSA-N
XLogP4.64
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(2-ethoxyphenyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]amino]propanoic acid?
The IUPAC name of 2-[[2-[4-(2-ethoxyphenyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]amino]propanoic acid (CID 171346186) is 2-[[2-[4-(2-ethoxyphenyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[4-(2-ethoxyphenyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[4-(2-ethoxyphenyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]amino]propanoic acid is CCOc1ccccc1-c1ccc(-c2nc(NC(C)C(=O)O)c3ccncc3n2)cc1.
What is the InChIKey of 2-[[2-[4-(2-ethoxyphenyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]amino]propanoic acid?
The InChIKey is WWKNQXXAPDFHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-3-31-21-7-5-4-6-18(21)16-8-10-17(11-9-16)22-27-20-14-25-13-12-19(20)23(28-22)26-15(2)24(29)30/h4-15H,3H2,1-2H3,(H,29,30)(H,26,27,28).
What are the key properties of 2-[[2-[4-(2-ethoxyphenyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]amino]propanoic acid?
2-[[2-[4-(2-ethoxyphenyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]amino]propanoic acid has a molecular weight of 414.47 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(2-ethoxyphenyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]amino]propanoic acid is sourced from PubChem (CID 171346186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).