tert-butyl N-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]carbamate

C24H26N2O6 — CID 102304584

IUPACtert-butyl N-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]carbamate
SMILESCOc1cc(-c2cc(C(=O)NC(=O)OC(C)(C)C)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C24H26N2O6/c1-24(2,3)32-23(28)26-22(27)16-13-18(25-17-10-8-7-9-15(16)17)14-11-19(29-4)21(31-6)20(12-14)30-5/h7-13H,1-6H3,(H,26,27,28)
InChIKeyYULQFKQTVSXDIQ-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.59
Rot. Bonds5

About tert-butyl N-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]carbamate

tert-butyl N-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]carbamate (PubChem CID 102304584) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is tert-butyl N-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]carbamate
PubChem CID102304584
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Nametert-butyl N-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]carbamate
SMILESCOc1cc(-c2cc(C(=O)NC(=O)OC(C)(C)C)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C24H26N2O6/c1-24(2,3)32-23(28)26-22(27)16-13-18(25-17-10-8-7-9-15(16)17)14-11-19(29-4)21(31-6)20(12-14)30-5/h7-13H,1-6H3,(H,26,27,28)
InChIKeyYULQFKQTVSXDIQ-UHFFFAOYSA-N
XLogP4.59
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 29198652
N-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 3900592
N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 31012307
N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 42993277
N-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 120506277
N-(3-methylbutyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 35139214
N-[(3,5-dimethoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46098754
2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 32773013
2-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2161835
N-(5-methyl-1,2-oxazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2329897
N-(5-chloro-2-pyridinyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 39753706
methyl 1-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate
CID 55572641

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]carbamate (CID 102304584) is tert-butyl N-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]carbamate is COc1cc(-c2cc(C(=O)NC(=O)OC(C)(C)C)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of tert-butyl N-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]carbamate?
The InChIKey is YULQFKQTVSXDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-24(2,3)32-23(28)26-22(27)16-13-18(25-17-10-8-7-9-15(16)17)14-11-19(29-4)21(31-6)20(12-14)30-5/h7-13H,1-6H3,(H,26,27,28).
What are the key properties of tert-butyl N-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]carbamate?
tert-butyl N-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]carbamate has a molecular weight of 438.48 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]carbamate is sourced from PubChem (CID 102304584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).