2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxan-4-yl]acetic acid

C25H26N2O5 — CID 22032786

IUPAC2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxan-4-yl]acetic acid
SMILESCc1cc(COc2ccc(C(=O)NC3(CC(=O)O)CCOCC3)cc2)c2ccccc2n1
InChIInChI=1S/C25H26N2O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-32-20-8-6-18(7-9-20)24(30)27-25(15-23(28)29)10-12-31-13-11-25/h2-9,14H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
InChIKeyGYXHXSHZAJDJQD-UHFFFAOYSA-N
MW434.49 g/mol
LogP3.88
Rot. Bonds7

About 2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxan-4-yl]acetic acid

2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxan-4-yl]acetic acid (PubChem CID 22032786) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is 2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxan-4-yl]acetic acid
PubChem CID22032786
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxan-4-yl]acetic acid
SMILESCc1cc(COc2ccc(C(=O)NC3(CC(=O)O)CCOCC3)cc2)c2ccccc2n1
InChIInChI=1S/C25H26N2O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-32-20-8-6-18(7-9-20)24(30)27-25(15-23(28)29)10-12-31-13-11-25/h2-9,14H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
InChIKeyGYXHXSHZAJDJQD-UHFFFAOYSA-N
XLogP3.88
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxan-4-yl]acetic acid with MolForge

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Related Compounds

N-[4-[2-(hydroxyamino)-2-oxoethyl]-1,1-dioxothian-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10051573
N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 18379235
N-[1-acetyl-3-[2-(hydroxyamino)-2-oxoethyl]pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10322745
N-[1-[2-(hydroxyamino)-2-oxoethyl]cycloheptyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;2,2,2-trifluoroacetic acid
CID 18379321
N-[3-[1-(hydroxyamino)-1-oxopropan-2-yl]oxolan-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;2,2,2-trifluoroacetic acid
CID 18379418
N-[3-[2-(hydroxyamino)-2-oxoethyl]thian-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10457222
N-[4-[[formyl(hydroxy)amino]methyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 18379189
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
N-[3-[2-(hydroxyamino)-2-oxoethyl]-1,1-dioxothian-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10028828
N-[3-[2-(hydroxyamino)-2-oxoethyl]-6-methoxyoxan-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 18379265
methyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-2-(oxan-4-yl)acetate
CID 66912603
N-[3-[2-(hydroxyamino)-2-oxoethyl]-5-methylpyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10388969

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxan-4-yl]acetic acid (CID 22032786) is 2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxan-4-yl]acetic acid is Cc1cc(COc2ccc(C(=O)NC3(CC(=O)O)CCOCC3)cc2)c2ccccc2n1.
What is the InChIKey of 2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxan-4-yl]acetic acid?
The InChIKey is GYXHXSHZAJDJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-32-20-8-6-18(7-9-20)24(30)27-25(15-23(28)29)10-12-31-13-11-25/h2-9,14H,10-13,15-16H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxan-4-yl]acetic acid?
2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxan-4-yl]acetic acid has a molecular weight of 434.49 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 22032786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).