N,N-dibutyl-2-(7-methoxy-2-oxo-3-propan-2-ylquinolin-1-yl)acetamide

C23H34N2O3 — CID 68999797

IUPACN,N-dibutyl-2-(7-methoxy-2-oxo-3-propan-2-ylquinolin-1-yl)acetamide
SMILESCCCCN(CCCC)C(=O)Cn1c(=O)c(C(C)C)cc2ccc(OC)cc21
InChIInChI=1S/C23H34N2O3/c1-6-8-12-24(13-9-7-2)22(26)16-25-21-15-19(28-5)11-10-18(21)14-20(17(3)4)23(25)27/h10-11,14-15,17H,6-9,12-13,16H2,1-5H3
InChIKeySZHPTVXUBWHDFA-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.56
Rot. Bonds10

About N,N-dibutyl-2-(7-methoxy-2-oxo-3-propan-2-ylquinolin-1-yl)acetamide

N,N-dibutyl-2-(7-methoxy-2-oxo-3-propan-2-ylquinolin-1-yl)acetamide (PubChem CID 68999797) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is N,N-dibutyl-2-(7-methoxy-2-oxo-3-propan-2-ylquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-(7-methoxy-2-oxo-3-propan-2-ylquinolin-1-yl)acetamide
PubChem CID68999797
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC NameN,N-dibutyl-2-(7-methoxy-2-oxo-3-propan-2-ylquinolin-1-yl)acetamide
SMILESCCCCN(CCCC)C(=O)Cn1c(=O)c(C(C)C)cc2ccc(OC)cc21
InChIInChI=1S/C23H34N2O3/c1-6-8-12-24(13-9-7-2)22(26)16-25-21-15-19(28-5)11-10-18(21)14-20(17(3)4)23(25)27/h10-11,14-15,17H,6-9,12-13,16H2,1-5H3
InChIKeySZHPTVXUBWHDFA-UHFFFAOYSA-N
XLogP4.56
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(7-methoxy-2-oxo-3-propan-2-ylquinolin-1-yl)acetamide?
The IUPAC name of N,N-dibutyl-2-(7-methoxy-2-oxo-3-propan-2-ylquinolin-1-yl)acetamide (CID 68999797) is N,N-dibutyl-2-(7-methoxy-2-oxo-3-propan-2-ylquinolin-1-yl)acetamide.
What is the SMILES notation for N,N-dibutyl-2-(7-methoxy-2-oxo-3-propan-2-ylquinolin-1-yl)acetamide?
The canonical SMILES for N,N-dibutyl-2-(7-methoxy-2-oxo-3-propan-2-ylquinolin-1-yl)acetamide is CCCCN(CCCC)C(=O)Cn1c(=O)c(C(C)C)cc2ccc(OC)cc21.
What is the InChIKey of N,N-dibutyl-2-(7-methoxy-2-oxo-3-propan-2-ylquinolin-1-yl)acetamide?
The InChIKey is SZHPTVXUBWHDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-6-8-12-24(13-9-7-2)22(26)16-25-21-15-19(28-5)11-10-18(21)14-20(17(3)4)23(25)27/h10-11,14-15,17H,6-9,12-13,16H2,1-5H3.
What are the key properties of N,N-dibutyl-2-(7-methoxy-2-oxo-3-propan-2-ylquinolin-1-yl)acetamide?
N,N-dibutyl-2-(7-methoxy-2-oxo-3-propan-2-ylquinolin-1-yl)acetamide has a molecular weight of 386.54 g/mol, XLogP of 4.56, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(7-methoxy-2-oxo-3-propan-2-ylquinolin-1-yl)acetamide is sourced from PubChem (CID 68999797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).