2-ethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid

C23H23N3O4 — CID 22621862

IUPAC2-ethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCN2c3cccnc3Cc3ncccc32)cc1)C(=O)O
InChIInChI=1S/C23H23N3O4/c1-2-29-22(23(27)28)13-16-7-9-17(10-8-16)30-15-26-20-5-3-11-24-18(20)14-19-21(26)6-4-12-25-19/h3-12,22H,2,13-15H2,1H3,(H,27,28)
InChIKeyPHLNYWOPQSYZKY-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.59
Rot. Bonds8

About 2-ethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid

2-ethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid (PubChem CID 22621862) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 2-ethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid
PubChem CID22621862
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name2-ethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCN2c3cccnc3Cc3ncccc32)cc1)C(=O)O
InChIInChI=1S/C23H23N3O4/c1-2-29-22(23(27)28)13-16-7-9-17(10-8-16)30-15-26-20-5-3-11-24-18(20)14-19-21(26)6-4-12-25-19/h3-12,22H,2,13-15H2,1H3,(H,27,28)
InChIKeyPHLNYWOPQSYZKY-UHFFFAOYSA-N
XLogP3.59
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenylmethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid
CID 22742976
2-ethoxy-3-(4-methoxyphenyl)propanoic acid
CID 11183680
(2S)-2-ethoxy-3-[4-(2-phenoxazin-10-yl(214C)ethoxy)phenyl]propanoic acid
CID 10905930
3-[4-(2,2-diethoxyethoxy)phenyl]-2-ethoxypropanoic acid
CID 70033606
3-[4-[2-(4-benzylphenoxy)ethoxy]phenyl]-2-ethoxypropanoic acid
CID 141125255
2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 72556449
2-ethoxy-3-phenylpropanoic acid
CID 54403311
3-[4-(5,9-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-ylmethoxy)phenyl]-2-ethoxypropanoic acid
CID 22743019
2-ethoxy-3-(4-iodophenyl)propanoic acid
CID 133245448
2-ethoxy-3-[4-(2-phenylmethoxyethoxy)phenyl]propanoic acid
CID 69176081
2-ethoxy-3-[4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]propanoic acid
CID 141125240
[4-[3-[4-[(2S)-2-carboxy-2-ethoxyethyl]phenoxy]propyl]phenyl]azanium chloride
CID 69426610

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid?
The IUPAC name of 2-ethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid (CID 22621862) is 2-ethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-ethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid?
The canonical SMILES for 2-ethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid is CCOC(Cc1ccc(OCN2c3cccnc3Cc3ncccc32)cc1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid?
The InChIKey is PHLNYWOPQSYZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-2-29-22(23(27)28)13-16-7-9-17(10-8-16)30-15-26-20-5-3-11-24-18(20)14-19-21(26)6-4-12-25-19/h3-12,22H,2,13-15H2,1H3,(H,27,28).
What are the key properties of 2-ethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid?
2-ethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid has a molecular weight of 405.45 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid is sourced from PubChem (CID 22621862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).