2-(3-cyclopentyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2,2-dimethylpropyl)acetamide

C28H42N2O3 — CID 24784110

IUPAC2-(3-cyclopentyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2,2-dimethylpropyl)acetamide
SMILESCOc1ccc2cc(C3CCCC3)c(=O)n(CC(=O)N(CCC(C)(C)C)CC(C)(C)C)c2c1
InChIInChI=1S/C28H42N2O3/c1-27(2,3)14-15-29(19-28(4,5)6)25(31)18-30-24-17-22(33-7)13-12-21(24)16-23(26(30)32)20-10-8-9-11-20/h12-13,16-17,20H,8-11,14-15,18-19H2,1-7H3
InChIKeyTZSULFSQNLMOBB-UHFFFAOYSA-N
MW454.66 g/mol
LogP5.98
Rot. Bonds7

About 2-(3-cyclopentyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2,2-dimethylpropyl)acetamide

2-(3-cyclopentyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2,2-dimethylpropyl)acetamide (PubChem CID 24784110) has the molecular formula C28H42N2O3 and a molecular weight of 454.66 g/mol. Its IUPAC name is 2-(3-cyclopentyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2,2-dimethylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopentyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2,2-dimethylpropyl)acetamide
PubChem CID24784110
Molecular FormulaC28H42N2O3
Molecular Weight454.66 g/mol
Exact Mass454.32
IUPAC Name2-(3-cyclopentyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2,2-dimethylpropyl)acetamide
SMILESCOc1ccc2cc(C3CCCC3)c(=O)n(CC(=O)N(CCC(C)(C)C)CC(C)(C)C)c2c1
InChIInChI=1S/C28H42N2O3/c1-27(2,3)14-15-29(19-28(4,5)6)25(31)18-30-24-17-22(33-7)13-12-21(24)16-23(26(30)32)20-10-8-9-11-20/h12-13,16-17,20H,8-11,14-15,18-19H2,1-7H3
InChIKeyTZSULFSQNLMOBB-UHFFFAOYSA-N
XLogP5.98
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.66
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2,2-dimethylpropyl)acetamide?
The IUPAC name of 2-(3-cyclopentyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2,2-dimethylpropyl)acetamide (CID 24784110) is 2-(3-cyclopentyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2,2-dimethylpropyl)acetamide.
What is the SMILES notation for 2-(3-cyclopentyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2,2-dimethylpropyl)acetamide?
The canonical SMILES for 2-(3-cyclopentyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2,2-dimethylpropyl)acetamide is COc1ccc2cc(C3CCCC3)c(=O)n(CC(=O)N(CCC(C)(C)C)CC(C)(C)C)c2c1.
What is the InChIKey of 2-(3-cyclopentyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2,2-dimethylpropyl)acetamide?
The InChIKey is TZSULFSQNLMOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2O3/c1-27(2,3)14-15-29(19-28(4,5)6)25(31)18-30-24-17-22(33-7)13-12-21(24)16-23(26(30)32)20-10-8-9-11-20/h12-13,16-17,20H,8-11,14-15,18-19H2,1-7H3.
What are the key properties of 2-(3-cyclopentyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2,2-dimethylpropyl)acetamide?
2-(3-cyclopentyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2,2-dimethylpropyl)acetamide has a molecular weight of 454.66 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 24784110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).