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

C22H22N2O3 — CID 10270013

IUPAC4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid
SMILESCOc1cccc(-c2nc(C3CCC(C(=O)O)CC3)cc3cccnc23)c1
InChIInChI=1S/C22H22N2O3/c1-27-18-6-2-4-16(12-18)21-20-17(5-3-11-23-20)13-19(24-21)14-7-9-15(10-8-14)22(25)26/h2-6,11-15H,7-10H2,1H3,(H,25,26)
InChIKeyLGRMMJXKINGJFV-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.66
Rot. Bonds4

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

4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid (PubChem CID 10270013) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid
PubChem CID10270013
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid
SMILESCOc1cccc(-c2nc(C3CCC(C(=O)O)CC3)cc3cccnc23)c1
InChIInChI=1S/C22H22N2O3/c1-27-18-6-2-4-16(12-18)21-20-17(5-3-11-23-20)13-19(24-21)14-7-9-15(10-8-14)22(25)26/h2-6,11-15H,7-10H2,1H3,(H,25,26)
InChIKeyLGRMMJXKINGJFV-UHFFFAOYSA-N
XLogP4.66
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid (CID 10270013) is 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid is COc1cccc(-c2nc(C3CCC(C(=O)O)CC3)cc3cccnc23)c1.
What is the InChIKey of 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid?
The InChIKey is LGRMMJXKINGJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-27-18-6-2-4-16(12-18)21-20-17(5-3-11-23-20)13-19(24-21)14-7-9-15(10-8-14)22(25)26/h2-6,11-15H,7-10H2,1H3,(H,25,26).
What are the key properties of 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid?
4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 10270013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).