3-(1-benzyl-7-chloro-3,4-dihydro-2H-1,5-naphthyridin-3-yl)propanoic acid

C18H19ClN2O2 — CID 122614684

IUPAC3-(1-benzyl-7-chloro-3,4-dihydro-2H-1,5-naphthyridin-3-yl)propanoic acid
SMILESO=C(O)CCC1Cc2ncc(Cl)cc2N(Cc2ccccc2)C1
InChIInChI=1S/C18H19ClN2O2/c19-15-9-17-16(20-10-15)8-14(6-7-18(22)23)12-21(17)11-13-4-2-1-3-5-13/h1-5,9-10,14H,6-8,11-12H2,(H,22,23)
InChIKeySCYOHQMDPVBUCI-UHFFFAOYSA-N
MW330.81 g/mol
LogP3.78
Rot. Bonds5

About 3-(1-benzyl-7-chloro-3,4-dihydro-2H-1,5-naphthyridin-3-yl)propanoic acid

3-(1-benzyl-7-chloro-3,4-dihydro-2H-1,5-naphthyridin-3-yl)propanoic acid (PubChem CID 122614684) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is 3-(1-benzyl-7-chloro-3,4-dihydro-2H-1,5-naphthyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-benzyl-7-chloro-3,4-dihydro-2H-1,5-naphthyridin-3-yl)propanoic acid
PubChem CID122614684
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC Name3-(1-benzyl-7-chloro-3,4-dihydro-2H-1,5-naphthyridin-3-yl)propanoic acid
SMILESO=C(O)CCC1Cc2ncc(Cl)cc2N(Cc2ccccc2)C1
InChIInChI=1S/C18H19ClN2O2/c19-15-9-17-16(20-10-15)8-14(6-7-18(22)23)12-21(17)11-13-4-2-1-3-5-13/h1-5,9-10,14H,6-8,11-12H2,(H,22,23)
InChIKeySCYOHQMDPVBUCI-UHFFFAOYSA-N
XLogP3.78
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-7-chloro-3,4-dihydro-2H-1,5-naphthyridin-3-yl)propanoic acid?
The IUPAC name of 3-(1-benzyl-7-chloro-3,4-dihydro-2H-1,5-naphthyridin-3-yl)propanoic acid (CID 122614684) is 3-(1-benzyl-7-chloro-3,4-dihydro-2H-1,5-naphthyridin-3-yl)propanoic acid.
What is the SMILES notation for 3-(1-benzyl-7-chloro-3,4-dihydro-2H-1,5-naphthyridin-3-yl)propanoic acid?
The canonical SMILES for 3-(1-benzyl-7-chloro-3,4-dihydro-2H-1,5-naphthyridin-3-yl)propanoic acid is O=C(O)CCC1Cc2ncc(Cl)cc2N(Cc2ccccc2)C1.
What is the InChIKey of 3-(1-benzyl-7-chloro-3,4-dihydro-2H-1,5-naphthyridin-3-yl)propanoic acid?
The InChIKey is SCYOHQMDPVBUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-15-9-17-16(20-10-15)8-14(6-7-18(22)23)12-21(17)11-13-4-2-1-3-5-13/h1-5,9-10,14H,6-8,11-12H2,(H,22,23).
What are the key properties of 3-(1-benzyl-7-chloro-3,4-dihydro-2H-1,5-naphthyridin-3-yl)propanoic acid?
3-(1-benzyl-7-chloro-3,4-dihydro-2H-1,5-naphthyridin-3-yl)propanoic acid has a molecular weight of 330.81 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-7-chloro-3,4-dihydro-2H-1,5-naphthyridin-3-yl)propanoic acid is sourced from PubChem (CID 122614684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).