2-[2-methyl-2-[(6-phenylmethoxyquinolin-2-yl)amino]propoxy]acetic acid

C22H24N2O4 — CID 146493068

IUPAC2-[2-methyl-2-[(6-phenylmethoxyquinolin-2-yl)amino]propoxy]acetic acid
SMILESCC(C)(COCC(=O)O)Nc1ccc2cc(OCc3ccccc3)ccc2n1
InChIInChI=1S/C22H24N2O4/c1-22(2,15-27-14-21(25)26)24-20-11-8-17-12-18(9-10-19(17)23-20)28-13-16-6-4-3-5-7-16/h3-12H,13-15H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyJLRUECFBLYBODH-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.11
Rot. Bonds9

About 2-[2-methyl-2-[(6-phenylmethoxyquinolin-2-yl)amino]propoxy]acetic acid

2-[2-methyl-2-[(6-phenylmethoxyquinolin-2-yl)amino]propoxy]acetic acid (PubChem CID 146493068) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[2-methyl-2-[(6-phenylmethoxyquinolin-2-yl)amino]propoxy]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-2-[(6-phenylmethoxyquinolin-2-yl)amino]propoxy]acetic acid
PubChem CID146493068
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-[2-methyl-2-[(6-phenylmethoxyquinolin-2-yl)amino]propoxy]acetic acid
SMILESCC(C)(COCC(=O)O)Nc1ccc2cc(OCc3ccccc3)ccc2n1
InChIInChI=1S/C22H24N2O4/c1-22(2,15-27-14-21(25)26)24-20-11-8-17-12-18(9-10-19(17)23-20)28-13-16-6-4-3-5-7-16/h3-12H,13-15H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyJLRUECFBLYBODH-UHFFFAOYSA-N
XLogP4.11
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-6-phenylmethoxyquinoline
CID 20709519
2-methyl-6-phenylmethoxyquinoline
CID 82580854
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
benzyl 6-butoxyquinoline-2-carboxylate
CID 90291187
ethane;4-phenylmethoxyphthalic acid
CID 90802135
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
2-naphthalen-2-yloxy-N-(4-phenylmethoxyphenyl)acetamide
CID 1352449
dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
CID 10991740
2-[6-[(2-phenylmethoxybenzoyl)amino]naphthalen-2-yl]oxyacetic acid
CID 10137340
methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
CID 54308363
tert-butyl N-[(E)-2-[[2-(benzenesulfonamido)quinolin-6-yl]oxymethyl]-3-fluoroprop-2-enyl]carbamate
CID 146492899
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-[(6-phenylmethoxyquinolin-2-yl)amino]propoxy]acetic acid?
The IUPAC name of 2-[2-methyl-2-[(6-phenylmethoxyquinolin-2-yl)amino]propoxy]acetic acid (CID 146493068) is 2-[2-methyl-2-[(6-phenylmethoxyquinolin-2-yl)amino]propoxy]acetic acid.
What is the SMILES notation for 2-[2-methyl-2-[(6-phenylmethoxyquinolin-2-yl)amino]propoxy]acetic acid?
The canonical SMILES for 2-[2-methyl-2-[(6-phenylmethoxyquinolin-2-yl)amino]propoxy]acetic acid is CC(C)(COCC(=O)O)Nc1ccc2cc(OCc3ccccc3)ccc2n1.
What is the InChIKey of 2-[2-methyl-2-[(6-phenylmethoxyquinolin-2-yl)amino]propoxy]acetic acid?
The InChIKey is JLRUECFBLYBODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-22(2,15-27-14-21(25)26)24-20-11-8-17-12-18(9-10-19(17)23-20)28-13-16-6-4-3-5-7-16/h3-12H,13-15H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 2-[2-methyl-2-[(6-phenylmethoxyquinolin-2-yl)amino]propoxy]acetic acid?
2-[2-methyl-2-[(6-phenylmethoxyquinolin-2-yl)amino]propoxy]acetic acid has a molecular weight of 380.44 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-[(6-phenylmethoxyquinolin-2-yl)amino]propoxy]acetic acid is sourced from PubChem (CID 146493068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).