quinolin-8-ylmethyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate

C24H26N2O5 — CID 24577350

IUPACquinolin-8-ylmethyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)C(C)(C)C)c(C(=O)OCc2cccc3cccnc23)cc1OC
InChIInChI=1S/C24H26N2O5/c1-24(2,3)23(28)26-18-13-20(30-5)19(29-4)12-17(18)22(27)31-14-16-9-6-8-15-10-7-11-25-21(15)16/h6-13H,14H2,1-5H3,(H,26,28)
InChIKeyYRDDRSVUZGQEJZ-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.59
Rot. Bonds6

About quinolin-8-ylmethyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate

quinolin-8-ylmethyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate (PubChem CID 24577350) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is quinolin-8-ylmethyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namequinolin-8-ylmethyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
PubChem CID24577350
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Namequinolin-8-ylmethyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)C(C)(C)C)c(C(=O)OCc2cccc3cccnc23)cc1OC
InChIInChI=1S/C24H26N2O5/c1-24(2,3)23(28)26-18-13-20(30-5)19(29-4)12-17(18)22(27)31-14-16-9-6-8-15-10-7-11-25-21(15)16/h6-13H,14H2,1-5H3,(H,26,28)
InChIKeyYRDDRSVUZGQEJZ-UHFFFAOYSA-N
XLogP4.59
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-N-quinolin-8-ylpropanamide;molecular hydrogen
CID 143593011
quinolin-8-ylmethyl 2-amino-3-methylbenzoate
CID 24670923
[4-(phenylcarbamoyl)phenyl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 24577349
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 55542549
quinolin-8-ylmethyl 3-hydroxybenzoate
CID 17392700
8-[[6,13,20-trimethoxy-12,19-bis(quinolin-8-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]quinoline
CID 11285895
2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 6926632
1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone
CID 33079900
quinolin-8-ylmethyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 24577220
N-(2-amino-2-methylpropyl)-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide
CID 119630528
[2-oxo-2-(1-phenylbutylamino)ethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 55368001
4-methyl-2-(quinolin-8-ylmethoxy)benzamide
CID 17419396

Frequently Asked Questions

What is the IUPAC name of quinolin-8-ylmethyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate?
The IUPAC name of quinolin-8-ylmethyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate (CID 24577350) is quinolin-8-ylmethyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate.
What is the SMILES notation for quinolin-8-ylmethyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate?
The canonical SMILES for quinolin-8-ylmethyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate is COc1cc(NC(=O)C(C)(C)C)c(C(=O)OCc2cccc3cccnc23)cc1OC.
What is the InChIKey of quinolin-8-ylmethyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate?
The InChIKey is YRDDRSVUZGQEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-24(2,3)23(28)26-18-13-20(30-5)19(29-4)12-17(18)22(27)31-14-16-9-6-8-15-10-7-11-25-21(15)16/h6-13H,14H2,1-5H3,(H,26,28).
What are the key properties of quinolin-8-ylmethyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate?
quinolin-8-ylmethyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate has a molecular weight of 422.48 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-ylmethyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate is sourced from PubChem (CID 24577350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).