2-[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-2-oxo-1H-quinolin-3-yl]acetic acid

C19H24N2O6 — CID 18462565

IUPAC2-[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-2-oxo-1H-quinolin-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)NCCCOc1ccc2cc(CC(=O)O)c(=O)[nH]c2c1
InChIInChI=1S/C19H24N2O6/c1-19(2,3)27-18(25)20-7-4-8-26-14-6-5-12-9-13(10-16(22)23)17(24)21-15(12)11-14/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyBAJSRTGTVICKFF-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.45
Rot. Bonds7

About 2-[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-2-oxo-1H-quinolin-3-yl]acetic acid

2-[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-2-oxo-1H-quinolin-3-yl]acetic acid (PubChem CID 18462565) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-2-oxo-1H-quinolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-2-oxo-1H-quinolin-3-yl]acetic acid
PubChem CID18462565
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name2-[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-2-oxo-1H-quinolin-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)NCCCOc1ccc2cc(CC(=O)O)c(=O)[nH]c2c1
InChIInChI=1S/C19H24N2O6/c1-19(2,3)27-18(25)20-7-4-8-26-14-6-5-12-9-13(10-16(22)23)17(24)21-15(12)11-14/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyBAJSRTGTVICKFF-UHFFFAOYSA-N
XLogP2.45
TPSA117.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[6,7-bis(hydroxymethyl)naphthalen-2-yl]oxyethyl]carbamate
CID 122667217
2-methyl-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoic acid
CID 70846052
tert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate
CID 71936523
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-1H-indole-2-carboxylic acid
CID 134272195
2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid
CID 164513589
tert-butyl N-[2-[(2-carbonochloridoyl-1H-indol-5-yl)oxy]ethyl]carbamate
CID 156896958
4-(2-methoxyethoxy)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoic acid
CID 68831637
tert-butyl N-[3-(3-benzyl-4-fluorophenoxy)propyl]carbamate
CID 175169261
6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]quinoline-4-carboxylic acid
CID 165399886
tert-butyl N-[3-(3-bromophenoxy)propyl]carbamate
CID 68922177
tert-butyl N-[2-(2-chloroquinolin-6-yl)oxyethyl]carbamate
CID 156619972
methyl 2-hydroxy-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate
CID 3316729

Frequently Asked Questions

What is the IUPAC name of 2-[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-2-oxo-1H-quinolin-3-yl]acetic acid?
The IUPAC name of 2-[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-2-oxo-1H-quinolin-3-yl]acetic acid (CID 18462565) is 2-[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-2-oxo-1H-quinolin-3-yl]acetic acid.
What is the SMILES notation for 2-[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-2-oxo-1H-quinolin-3-yl]acetic acid?
The canonical SMILES for 2-[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-2-oxo-1H-quinolin-3-yl]acetic acid is CC(C)(C)OC(=O)NCCCOc1ccc2cc(CC(=O)O)c(=O)[nH]c2c1.
What is the InChIKey of 2-[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-2-oxo-1H-quinolin-3-yl]acetic acid?
The InChIKey is BAJSRTGTVICKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-19(2,3)27-18(25)20-7-4-8-26-14-6-5-12-9-13(10-16(22)23)17(24)21-15(12)11-14/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,20,25)(H,21,24)(H,22,23).
What are the key properties of 2-[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-2-oxo-1H-quinolin-3-yl]acetic acid?
2-[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-2-oxo-1H-quinolin-3-yl]acetic acid has a molecular weight of 376.41 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-2-oxo-1H-quinolin-3-yl]acetic acid is sourced from PubChem (CID 18462565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).