3-[6-[4-[(4-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid

C24H23ClN2O3 — CID 126618884

IUPAC3-[6-[4-[(4-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid
SMILESO=C(O)CCN1CCc2cc(-c3ccc(OCc4ccc(Cl)cc4)cc3)ncc2C1
InChIInChI=1S/C24H23ClN2O3/c25-21-5-1-17(2-6-21)16-30-22-7-3-18(4-8-22)23-13-19-9-11-27(12-10-24(28)29)15-20(19)14-26-23/h1-8,13-14H,9-12,15-16H2,(H,28,29)
InChIKeyHMDDNNDNSOJCSO-UHFFFAOYSA-N
MW422.91 g/mol
LogP4.81
Rot. Bonds7

About 3-[6-[4-[(4-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid

3-[6-[4-[(4-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid (PubChem CID 126618884) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is 3-[6-[4-[(4-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-[4-[(4-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid
PubChem CID126618884
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name3-[6-[4-[(4-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid
SMILESO=C(O)CCN1CCc2cc(-c3ccc(OCc4ccc(Cl)cc4)cc3)ncc2C1
InChIInChI=1S/C24H23ClN2O3/c25-21-5-1-17(2-6-21)16-30-22-7-3-18(4-8-22)23-13-19-9-11-27(12-10-24(28)29)15-20(19)14-26-23/h1-8,13-14H,9-12,15-16H2,(H,28,29)
InChIKeyHMDDNNDNSOJCSO-UHFFFAOYSA-N
XLogP4.81
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid
CID 126619039
3-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid
CID 126618741
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-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropanoic acid
CID 126619111
3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4,7,8-tetrahydro-1H-2,7-naphthyridin-2-yl]propanoic acid
CID 126676664
3-[2-(2-methoxy-4-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid
CID 126618725
2-[2-[4-[(3-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetic acid
CID 126619259
2-methyl-3-[3-(4-phenylmethoxyphenyl)-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl]propanoic acid
CID 126618882
3-[2-[4-phenylmethoxy-2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid
CID 126618757
3-methyl-4-[2-[4-[(4-methylphenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butanoic acid
CID 126618984
4-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-ol
CID 126618867

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[(4-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid?
The IUPAC name of 3-[6-[4-[(4-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid (CID 126618884) is 3-[6-[4-[(4-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid.
What is the SMILES notation for 3-[6-[4-[(4-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid?
The canonical SMILES for 3-[6-[4-[(4-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid is O=C(O)CCN1CCc2cc(-c3ccc(OCc4ccc(Cl)cc4)cc3)ncc2C1.
What is the InChIKey of 3-[6-[4-[(4-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid?
The InChIKey is HMDDNNDNSOJCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c25-21-5-1-17(2-6-21)16-30-22-7-3-18(4-8-22)23-13-19-9-11-27(12-10-24(28)29)15-20(19)14-26-23/h1-8,13-14H,9-12,15-16H2,(H,28,29).
What are the key properties of 3-[6-[4-[(4-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid?
3-[6-[4-[(4-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid has a molecular weight of 422.91 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[(4-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid is sourced from PubChem (CID 126618884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).