3-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid

C24H24N2O3 — CID 126618741

IUPAC3-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid
SMILESO=C(O)CCN1CCc2nc(-c3ccc(OCc4ccccc4)cc3)ccc2C1
InChIInChI=1S/C24H24N2O3/c27-24(28)13-15-26-14-12-23-20(16-26)8-11-22(25-23)19-6-9-21(10-7-19)29-17-18-4-2-1-3-5-18/h1-11H,12-17H2,(H,27,28)
InChIKeyUPLAJCBYUNEVBB-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.16
Rot. Bonds7

About 3-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid

3-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid (PubChem CID 126618741) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid
PubChem CID126618741
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name3-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid
SMILESO=C(O)CCN1CCc2nc(-c3ccc(OCc4ccccc4)cc3)ccc2C1
InChIInChI=1S/C24H24N2O3/c27-24(28)13-15-26-14-12-23-20(16-26)8-11-22(25-23)19-6-9-21(10-7-19)29-17-18-4-2-1-3-5-18/h1-11H,12-17H2,(H,27,28)
InChIKeyUPLAJCBYUNEVBB-UHFFFAOYSA-N
XLogP4.16
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-methoxy-4-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid
CID 126618725
3-[2-[4-phenylmethoxy-2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid
CID 126618757
3-[2-[2-(1,1-difluoro-2-methylprop-2-enyl)-4-phenylmethoxyphenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid
CID 162598604
3-[2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid
CID 126618904
3-[2-[4-[(4-methylsulfanylphenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanoic acid
CID 126618661
3-[6-[4-[(4-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid
CID 126618884
3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid
CID 126619039
methyl 1-[2-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethyl]cyclopropane-1-carboxylate
CID 126630221
2-methyl-3-[3-(4-phenylmethoxyphenyl)-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl]propanoic acid
CID 126618882
ethyl 3-methyl-4-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butanoate
CID 126619164
3-methyl-4-[2-[4-[(4-methylphenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butanoic acid
CID 126618984
3-[2-[4-[[2-methyl-5-(trifluoromethyl)phenyl]methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanoic acid
CID 126618811

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid?
The IUPAC name of 3-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid (CID 126618741) is 3-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid.
What is the SMILES notation for 3-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid?
The canonical SMILES for 3-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid is O=C(O)CCN1CCc2nc(-c3ccc(OCc4ccccc4)cc3)ccc2C1.
What is the InChIKey of 3-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid?
The InChIKey is UPLAJCBYUNEVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-24(28)13-15-26-14-12-23-20(16-26)8-11-22(25-23)19-6-9-21(10-7-19)29-17-18-4-2-1-3-5-18/h1-11H,12-17H2,(H,27,28).
What are the key properties of 3-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid?
3-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid has a molecular weight of 388.47 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid is sourced from PubChem (CID 126618741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).