4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid

C21H19ClN2O2 — CID 10109508

IUPAC4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2cc3cccnc3c(-c3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C21H19ClN2O2/c22-17-5-1-3-15(11-17)20-19-16(4-2-10-23-19)12-18(24-20)13-6-8-14(9-7-13)21(25)26/h1-5,10-14H,6-9H2,(H,25,26)
InChIKeyCGNHCGYUESNHJH-UHFFFAOYSA-N
MW366.85 g/mol
LogP5.31
Rot. Bonds3

About 4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid

4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid (PubChem CID 10109508) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid
PubChem CID10109508
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2cc3cccnc3c(-c3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C21H19ClN2O2/c22-17-5-1-3-15(11-17)20-19-16(4-2-10-23-19)12-18(24-20)13-6-8-14(9-7-13)21(25)26/h1-5,10-14H,6-9H2,(H,25,26)
InChIKeyCGNHCGYUESNHJH-UHFFFAOYSA-N
XLogP5.31
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.85
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid (CID 10109508) is 4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(c2cc3cccnc3c(-c3cccc(Cl)c3)n2)CC1.
What is the InChIKey of 4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid?
The InChIKey is CGNHCGYUESNHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-17-5-1-3-15(11-17)20-19-16(4-2-10-23-19)12-18(24-20)13-6-8-14(9-7-13)21(25)26/h1-5,10-14H,6-9H2,(H,25,26).
What are the key properties of 4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid?
4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid has a molecular weight of 366.85 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(3-chlorophenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 10109508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).