2-[[6-[3-(cyclohexylcarbamoyl)phenoxy]-3-hydroxyquinoline-2-carbonyl]amino]acetic acid

C25H25N3O6 — CID 19692174

IUPAC2-[[6-[3-(cyclohexylcarbamoyl)phenoxy]-3-hydroxyquinoline-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1nc2ccc(Oc3cccc(C(=O)NC4CCCCC4)c3)cc2cc1O
InChIInChI=1S/C25H25N3O6/c29-21-13-16-12-19(9-10-20(16)28-23(21)25(33)26-14-22(30)31)34-18-8-4-5-15(11-18)24(32)27-17-6-2-1-3-7-17/h4-5,8-13,17,29H,1-3,6-7,14H2,(H,26,33)(H,27,32)(H,30,31)
InChIKeyCOHIRNOMXPGGCJ-UHFFFAOYSA-N
MW463.49 g/mol
LogP3.61
Rot. Bonds7

About 2-[[6-[3-(cyclohexylcarbamoyl)phenoxy]-3-hydroxyquinoline-2-carbonyl]amino]acetic acid

2-[[6-[3-(cyclohexylcarbamoyl)phenoxy]-3-hydroxyquinoline-2-carbonyl]amino]acetic acid (PubChem CID 19692174) has the molecular formula C25H25N3O6 and a molecular weight of 463.49 g/mol. Its IUPAC name is 2-[[6-[3-(cyclohexylcarbamoyl)phenoxy]-3-hydroxyquinoline-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-[3-(cyclohexylcarbamoyl)phenoxy]-3-hydroxyquinoline-2-carbonyl]amino]acetic acid
PubChem CID19692174
Molecular FormulaC25H25N3O6
Molecular Weight463.49 g/mol
Exact Mass463.17
IUPAC Name2-[[6-[3-(cyclohexylcarbamoyl)phenoxy]-3-hydroxyquinoline-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1nc2ccc(Oc3cccc(C(=O)NC4CCCCC4)c3)cc2cc1O
InChIInChI=1S/C25H25N3O6/c29-21-13-16-12-19(9-10-20(16)28-23(21)25(33)26-14-22(30)31)34-18-8-4-5-15(11-18)24(32)27-17-6-2-1-3-7-17/h4-5,8-13,17,29H,1-3,6-7,14H2,(H,26,33)(H,27,32)(H,30,31)
InChIKeyCOHIRNOMXPGGCJ-UHFFFAOYSA-N
XLogP3.61
TPSA137.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[6-[3-(cyclohexylcarbamoyl)phenoxy]-3-hydroxyquinoline-2-carbonyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-3-phenoxybenzamide
CID 2684460
2-[(3-hydroxy-6-propoxyquinoline-2-carbonyl)amino]acetic acid
CID 19698626
3-phenoxy-N-piperidin-4-ylbenzamide
CID 71730778
N-cyclohexyl-3-propoxybenzamide
CID 4960053
2-[[6-(benzenesulfonyl)-3-hydroxyquinoline-2-carbonyl]amino]acetic acid
CID 19692194
N-cyclohexyl-3-(6-methylpyridazin-3-yl)oxybenzamide
CID 70703754
3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide
CID 109051864
2-[(1-cyclopropyl-4-hydroxy-6-phenoxyisoquinoline-3-carbonyl)amino]acetic acid
CID 156786200
2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid
CID 170962981
N-cyclopropyl-3-[(3-phenoxybenzoyl)amino]benzamide
CID 9438583
N-piperidin-4-yl-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 119386172
benzyl 2-[[6-(3-methoxyphenoxy)-3-phenylmethoxyquinoline-2-carbonyl]amino]acetate
CID 19692176

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3-(cyclohexylcarbamoyl)phenoxy]-3-hydroxyquinoline-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[6-[3-(cyclohexylcarbamoyl)phenoxy]-3-hydroxyquinoline-2-carbonyl]amino]acetic acid (CID 19692174) is 2-[[6-[3-(cyclohexylcarbamoyl)phenoxy]-3-hydroxyquinoline-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[6-[3-(cyclohexylcarbamoyl)phenoxy]-3-hydroxyquinoline-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[6-[3-(cyclohexylcarbamoyl)phenoxy]-3-hydroxyquinoline-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1nc2ccc(Oc3cccc(C(=O)NC4CCCCC4)c3)cc2cc1O.
What is the InChIKey of 2-[[6-[3-(cyclohexylcarbamoyl)phenoxy]-3-hydroxyquinoline-2-carbonyl]amino]acetic acid?
The InChIKey is COHIRNOMXPGGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O6/c29-21-13-16-12-19(9-10-20(16)28-23(21)25(33)26-14-22(30)31)34-18-8-4-5-15(11-18)24(32)27-17-6-2-1-3-7-17/h4-5,8-13,17,29H,1-3,6-7,14H2,(H,26,33)(H,27,32)(H,30,31).
What are the key properties of 2-[[6-[3-(cyclohexylcarbamoyl)phenoxy]-3-hydroxyquinoline-2-carbonyl]amino]acetic acid?
2-[[6-[3-(cyclohexylcarbamoyl)phenoxy]-3-hydroxyquinoline-2-carbonyl]amino]acetic acid has a molecular weight of 463.49 g/mol, XLogP of 3.61, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[3-(cyclohexylcarbamoyl)phenoxy]-3-hydroxyquinoline-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 19692174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).