3-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-quinolin-8-ylamino]-2-oxoethyl]carbamoylamino]benzoic acid

C25H26N4O6 — CID 15670908

IUPAC3-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-quinolin-8-ylamino]-2-oxoethyl]carbamoylamino]benzoic acid
SMILESCC(C)(C)OC(=O)CN(C(=O)CNC(=O)Nc1cccc(C(=O)O)c1)c1cccc2cccnc12
InChIInChI=1S/C25H26N4O6/c1-25(2,3)35-21(31)15-29(19-11-5-7-16-9-6-12-26-22(16)19)20(30)14-27-24(34)28-18-10-4-8-17(13-18)23(32)33/h4-13H,14-15H2,1-3H3,(H,32,33)(H2,27,28,34)
InChIKeyMOTWQRTUTQSMNU-UHFFFAOYSA-N
MW478.51 g/mol
LogP3.43
Rot. Bonds7

About 3-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-quinolin-8-ylamino]-2-oxoethyl]carbamoylamino]benzoic acid

3-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-quinolin-8-ylamino]-2-oxoethyl]carbamoylamino]benzoic acid (PubChem CID 15670908) has the molecular formula C25H26N4O6 and a molecular weight of 478.51 g/mol. Its IUPAC name is 3-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-quinolin-8-ylamino]-2-oxoethyl]carbamoylamino]benzoic acid.

Molecular Properties

Compound Name3-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-quinolin-8-ylamino]-2-oxoethyl]carbamoylamino]benzoic acid
PubChem CID15670908
Molecular FormulaC25H26N4O6
Molecular Weight478.51 g/mol
Exact Mass478.19
IUPAC Name3-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-quinolin-8-ylamino]-2-oxoethyl]carbamoylamino]benzoic acid
SMILESCC(C)(C)OC(=O)CN(C(=O)CNC(=O)Nc1cccc(C(=O)O)c1)c1cccc2cccnc12
InChIInChI=1S/C25H26N4O6/c1-25(2,3)35-21(31)15-29(19-11-5-7-16-9-6-12-26-22(16)19)20(30)14-27-24(34)28-18-10-4-8-17(13-18)23(32)33/h4-13H,14-15H2,1-3H3,(H,32,33)(H2,27,28,34)
InChIKeyMOTWQRTUTQSMNU-UHFFFAOYSA-N
XLogP3.43
TPSA137.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-quinolin-8-ylamino]-2-oxoethyl]carbamoylamino]benzoic 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

3-[[2-[[2-(N-methylanilino)-2-oxoethyl]-quinolin-8-ylamino]-2-oxoethyl]carbamoylamino]benzoic acid
CID 15670896
tert-butyl 2-(2-benzoyl-N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetate
CID 18930576
tert-butyl 2-[(2-isocyanatoacetyl)-quinolin-8-ylamino]acetate
CID 15670906
tert-butyl 2-(2-benzoyl-N-[2-[(4-chlorophenyl)carbamoylamino]acetyl]anilino)acetate
CID 18930619
tert-butyl 2-[(5-chloroisoquinolin-8-yl)-[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]acetate
CID 15670875
2-[3-[[2-[2-[2-(N-methylanilino)-2-oxoethoxy]-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]anilino]-2-oxoethyl]carbamoylamino]phenyl]acetic acid
CID 70258887
tert-butyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-quinolin-8-ylamino]acetate
CID 15670869
2-[(3-acetylphenyl)carbamoylamino]-N-quinolin-8-ylacetamide
CID 52842232
tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate
CID 140974829
tert-butyl N-(3,3-diphenylpropanoyl)-N-quinolin-8-ylcarbamate
CID 138964998
2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113178753
2-[(2-methoxy-2-oxoethyl)-quinolin-8-ylamino]acetic acid
CID 59772112

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-quinolin-8-ylamino]-2-oxoethyl]carbamoylamino]benzoic acid?
The IUPAC name of 3-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-quinolin-8-ylamino]-2-oxoethyl]carbamoylamino]benzoic acid (CID 15670908) is 3-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-quinolin-8-ylamino]-2-oxoethyl]carbamoylamino]benzoic acid.
What is the SMILES notation for 3-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-quinolin-8-ylamino]-2-oxoethyl]carbamoylamino]benzoic acid?
The canonical SMILES for 3-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-quinolin-8-ylamino]-2-oxoethyl]carbamoylamino]benzoic acid is CC(C)(C)OC(=O)CN(C(=O)CNC(=O)Nc1cccc(C(=O)O)c1)c1cccc2cccnc12.
What is the InChIKey of 3-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-quinolin-8-ylamino]-2-oxoethyl]carbamoylamino]benzoic acid?
The InChIKey is MOTWQRTUTQSMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O6/c1-25(2,3)35-21(31)15-29(19-11-5-7-16-9-6-12-26-22(16)19)20(30)14-27-24(34)28-18-10-4-8-17(13-18)23(32)33/h4-13H,14-15H2,1-3H3,(H,32,33)(H2,27,28,34).
What are the key properties of 3-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-quinolin-8-ylamino]-2-oxoethyl]carbamoylamino]benzoic acid?
3-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-quinolin-8-ylamino]-2-oxoethyl]carbamoylamino]benzoic acid has a molecular weight of 478.51 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-quinolin-8-ylamino]-2-oxoethyl]carbamoylamino]benzoic acid is sourced from PubChem (CID 15670908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).