3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4,7,8-tetrahydro-1H-2,7-naphthyridin-2-yl]propanoic acid

C24H25ClN2O3 — CID 126676664

IUPAC3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4,7,8-tetrahydro-1H-2,7-naphthyridin-2-yl]propanoic acid
SMILESO=C(O)CCN1CCC2=C(CNC(c3ccc(OCc4cccc(Cl)c4)cc3)=C2)C1
InChIInChI=1S/C24H25ClN2O3/c25-21-3-1-2-17(12-21)16-30-22-6-4-18(5-7-22)23-13-19-8-10-27(11-9-24(28)29)15-20(19)14-26-23/h1-7,12-13,26H,8-11,14-16H2,(H,28,29)
InChIKeyNUHNVVWNXFHOOZ-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.34
Rot. Bonds7

About 3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4,7,8-tetrahydro-1H-2,7-naphthyridin-2-yl]propanoic acid

3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4,7,8-tetrahydro-1H-2,7-naphthyridin-2-yl]propanoic acid (PubChem CID 126676664) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is 3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4,7,8-tetrahydro-1H-2,7-naphthyridin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4,7,8-tetrahydro-1H-2,7-naphthyridin-2-yl]propanoic acid
PubChem CID126676664
Molecular FormulaC24H25ClN2O3
Molecular Weight424.93 g/mol
Exact Mass424.16
IUPAC Name3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4,7,8-tetrahydro-1H-2,7-naphthyridin-2-yl]propanoic acid
SMILESO=C(O)CCN1CCC2=C(CNC(c3ccc(OCc4cccc(Cl)c4)cc3)=C2)C1
InChIInChI=1S/C24H25ClN2O3/c25-21-3-1-2-17(12-21)16-30-22-6-4-18(5-7-22)23-13-19-8-10-27(11-9-24(28)29)15-20(19)14-26-23/h1-7,12-13,26H,8-11,14-16H2,(H,28,29)
InChIKeyNUHNVVWNXFHOOZ-UHFFFAOYSA-N
XLogP4.34
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4,7,8-tetrahydro-1H-2,7-naphthyridin-2-yl]propanoic acid?
The IUPAC name of 3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4,7,8-tetrahydro-1H-2,7-naphthyridin-2-yl]propanoic acid (CID 126676664) is 3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4,7,8-tetrahydro-1H-2,7-naphthyridin-2-yl]propanoic acid.
What is the SMILES notation for 3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4,7,8-tetrahydro-1H-2,7-naphthyridin-2-yl]propanoic acid?
The canonical SMILES for 3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4,7,8-tetrahydro-1H-2,7-naphthyridin-2-yl]propanoic acid is O=C(O)CCN1CCC2=C(CNC(c3ccc(OCc4cccc(Cl)c4)cc3)=C2)C1.
What is the InChIKey of 3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4,7,8-tetrahydro-1H-2,7-naphthyridin-2-yl]propanoic acid?
The InChIKey is NUHNVVWNXFHOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c25-21-3-1-2-17(12-21)16-30-22-6-4-18(5-7-22)23-13-19-8-10-27(11-9-24(28)29)15-20(19)14-26-23/h1-7,12-13,26H,8-11,14-16H2,(H,28,29).
What are the key properties of 3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4,7,8-tetrahydro-1H-2,7-naphthyridin-2-yl]propanoic acid?
3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4,7,8-tetrahydro-1H-2,7-naphthyridin-2-yl]propanoic acid has a molecular weight of 424.93 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4,7,8-tetrahydro-1H-2,7-naphthyridin-2-yl]propanoic acid is sourced from PubChem (CID 126676664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).