N-(3,3-dimethylbutyl)-2-(3-ethyl-7-methoxy-2-oxo-1H-quinolin-4-yl)-N-propylacetamide

C23H34N2O3 — CID 69132637

IUPACN-(3,3-dimethylbutyl)-2-(3-ethyl-7-methoxy-2-oxo-1H-quinolin-4-yl)-N-propylacetamide
SMILESCCCN(CCC(C)(C)C)C(=O)Cc1c(CC)c(=O)[nH]c2cc(OC)ccc12
InChIInChI=1S/C23H34N2O3/c1-7-12-25(13-11-23(3,4)5)21(26)15-19-17(8-2)22(27)24-20-14-16(28-6)9-10-18(19)20/h9-10,14H,7-8,11-13,15H2,1-6H3,(H,24,27)
InChIKeyVQNXAILXWOOBRY-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.32
Rot. Bonds8

About N-(3,3-dimethylbutyl)-2-(3-ethyl-7-methoxy-2-oxo-1H-quinolin-4-yl)-N-propylacetamide

N-(3,3-dimethylbutyl)-2-(3-ethyl-7-methoxy-2-oxo-1H-quinolin-4-yl)-N-propylacetamide (PubChem CID 69132637) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2-(3-ethyl-7-methoxy-2-oxo-1H-quinolin-4-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2-(3-ethyl-7-methoxy-2-oxo-1H-quinolin-4-yl)-N-propylacetamide
PubChem CID69132637
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC NameN-(3,3-dimethylbutyl)-2-(3-ethyl-7-methoxy-2-oxo-1H-quinolin-4-yl)-N-propylacetamide
SMILESCCCN(CCC(C)(C)C)C(=O)Cc1c(CC)c(=O)[nH]c2cc(OC)ccc12
InChIInChI=1S/C23H34N2O3/c1-7-12-25(13-11-23(3,4)5)21(26)15-19-17(8-2)22(27)24-20-14-16(28-6)9-10-18(19)20/h9-10,14H,7-8,11-13,15H2,1-6H3,(H,24,27)
InChIKeyVQNXAILXWOOBRY-UHFFFAOYSA-N
XLogP4.32
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,3-dimethylbutyl)-2-(3-ethyl-7-methoxy-2-oxo-1H-quinolin-4-yl)-N-propylacetamide with MolForge

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Related Compounds

N-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 3932848
2-(3-cyclopentyl-7-methoxy-2-oxo-1H-quinolin-4-yl)acetamide
CID 69133416
(3-ethyl-4-methyl-2-oxo-1H-quinolin-7-yl) acetate
CID 46907086
N-butyl-2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzothiophen-3-yl]-N-propylacetamide
CID 11258194
3,4,5-trimethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide
CID 3752311
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylfuran-2-carboxamide
CID 1421969
N-(3,3-dimethylbutyl)-N-ethyl-2-(2-methoxycarbazol-9-yl)acetamide
CID 11696301
2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-propylacetamide
CID 68999776
2-(6-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 70238324
N-butyl-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide
CID 110298878
4-hydroxy-3,7-dimethoxy-1H-quinolin-2-one
CID 139718554
N-butyl-N-(3,3-dimethylbutyl)-4-methoxybenzamide
CID 18736088

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2-(3-ethyl-7-methoxy-2-oxo-1H-quinolin-4-yl)-N-propylacetamide?
The IUPAC name of N-(3,3-dimethylbutyl)-2-(3-ethyl-7-methoxy-2-oxo-1H-quinolin-4-yl)-N-propylacetamide (CID 69132637) is N-(3,3-dimethylbutyl)-2-(3-ethyl-7-methoxy-2-oxo-1H-quinolin-4-yl)-N-propylacetamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2-(3-ethyl-7-methoxy-2-oxo-1H-quinolin-4-yl)-N-propylacetamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-2-(3-ethyl-7-methoxy-2-oxo-1H-quinolin-4-yl)-N-propylacetamide is CCCN(CCC(C)(C)C)C(=O)Cc1c(CC)c(=O)[nH]c2cc(OC)ccc12.
What is the InChIKey of N-(3,3-dimethylbutyl)-2-(3-ethyl-7-methoxy-2-oxo-1H-quinolin-4-yl)-N-propylacetamide?
The InChIKey is VQNXAILXWOOBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-7-12-25(13-11-23(3,4)5)21(26)15-19-17(8-2)22(27)24-20-14-16(28-6)9-10-18(19)20/h9-10,14H,7-8,11-13,15H2,1-6H3,(H,24,27).
What are the key properties of N-(3,3-dimethylbutyl)-2-(3-ethyl-7-methoxy-2-oxo-1H-quinolin-4-yl)-N-propylacetamide?
N-(3,3-dimethylbutyl)-2-(3-ethyl-7-methoxy-2-oxo-1H-quinolin-4-yl)-N-propylacetamide has a molecular weight of 386.54 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2-(3-ethyl-7-methoxy-2-oxo-1H-quinolin-4-yl)-N-propylacetamide is sourced from PubChem (CID 69132637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).