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

C28H25N3O4 — CID 22742976

IUPAC2-phenylmethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid
SMILESO=C(O)C(Cc1ccc(OCN2c3cccnc3Cc3ncccc32)cc1)OCc1ccccc1
InChIInChI=1S/C28H25N3O4/c32-28(33)27(34-18-21-6-2-1-3-7-21)16-20-10-12-22(13-11-20)35-19-31-25-8-4-14-29-23(25)17-24-26(31)9-5-15-30-24/h1-15,27H,16-19H2,(H,32,33)
InChIKeyZCNNVEAAWHBGLB-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.77
Rot. Bonds9

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

2-phenylmethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid (PubChem CID 22742976) has the molecular formula C28H25N3O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-phenylmethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-phenylmethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid
PubChem CID22742976
Molecular FormulaC28H25N3O4
Molecular Weight467.53 g/mol
Exact Mass467.18
IUPAC Name2-phenylmethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid
SMILESO=C(O)C(Cc1ccc(OCN2c3cccnc3Cc3ncccc32)cc1)OCc1ccccc1
InChIInChI=1S/C28H25N3O4/c32-28(33)27(34-18-21-6-2-1-3-7-21)16-20-10-12-22(13-11-20)35-19-31-25-8-4-14-29-23(25)17-24-26(31)9-5-15-30-24/h1-15,27H,16-19H2,(H,32,33)
InChIKeyZCNNVEAAWHBGLB-UHFFFAOYSA-N
XLogP4.77
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-ethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid
CID 22621862
(2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 122390059
(3S)-3-phenylmethoxy-4-(4-phenylmethoxyphenyl)butan-2-one
CID 46185770
3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid
CID 18443572
strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 173177558
2-ethoxy-3-[4-(2-phenylmethoxyethoxy)phenyl]propanoic acid
CID 69176081
2-acetyloxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 69398659
2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 72556449
3-[4-[2-(4-benzylphenoxy)ethoxy]phenyl]-2-ethoxypropanoic acid
CID 141125255
(2S)-2-ethoxy-3-[4-(2-phenoxazin-10-yl(214C)ethoxy)phenyl]propanoic acid
CID 10905930
3-[4-(9H-acridin-10-ylmethoxy)phenyl]-2-methylpropanoic acid
CID 20784375
3-(3-bromophenyl)-2-phenylmethoxypropanoic acid
CID 133245426

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid?
The IUPAC name of 2-phenylmethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid (CID 22742976) is 2-phenylmethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-phenylmethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid?
The canonical SMILES for 2-phenylmethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid is O=C(O)C(Cc1ccc(OCN2c3cccnc3Cc3ncccc32)cc1)OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid?
The InChIKey is ZCNNVEAAWHBGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4/c32-28(33)27(34-18-21-6-2-1-3-7-21)16-20-10-12-22(13-11-20)35-19-31-25-8-4-14-29-23(25)17-24-26(31)9-5-15-30-24/h1-15,27H,16-19H2,(H,32,33).
What are the key properties of 2-phenylmethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid?
2-phenylmethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid has a molecular weight of 467.53 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid is sourced from PubChem (CID 22742976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).