2-[1-(cyclopropylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C28H34N2O5 — CID 42878034

IUPAC2-[1-(cyclopropylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc3c(C(C)C)cc(=O)n(CC4CC4)c3c2)cc1OC
InChIInChI=1S/C28H34N2O5/c1-18(2)23-15-28(32)30(16-20-5-6-20)24-14-21(8-9-22(23)24)35-17-27(31)29-12-11-19-7-10-25(33-3)26(13-19)34-4/h7-10,13-15,18,20H,5-6,11-12,16-17H2,1-4H3,(H,29,31)
InChIKeyOSPFCIJCEWMRJI-UHFFFAOYSA-N
MW478.59 g/mol
LogP4.29
Rot. Bonds11

About 2-[1-(cyclopropylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-[1-(cyclopropylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 42878034) has the molecular formula C28H34N2O5 and a molecular weight of 478.59 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID42878034
Molecular FormulaC28H34N2O5
Molecular Weight478.59 g/mol
Exact Mass478.25
IUPAC Name2-[1-(cyclopropylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc3c(C(C)C)cc(=O)n(CC4CC4)c3c2)cc1OC
InChIInChI=1S/C28H34N2O5/c1-18(2)23-15-28(32)30(16-20-5-6-20)24-14-21(8-9-22(23)24)35-17-27(31)29-12-11-19-7-10-25(33-3)26(13-19)34-4/h7-10,13-15,18,20H,5-6,11-12,16-17H2,1-4H3,(H,29,31)
InChIKeyOSPFCIJCEWMRJI-UHFFFAOYSA-N
XLogP4.29
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(cyclopropylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide with MolForge

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Related Compounds

N-cyclopropyl-2-(1-ethyl-2-oxo-4-propan-2-ylquinolin-7-yl)oxyacetamide
CID 42690310
2-[1-(cyclobutylmethyl)-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-piperidin-1-ylethyl)acetamide
CID 42877942
N-benzyl-2-[1-(cyclopropylmethyl)-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxyacetamide
CID 42877975
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439
2-dibenzofuran-2-yloxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9245894
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(dimethylamino)phenoxy]acetamide
CID 71745859
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfanylphenoxy)acetamide
CID 7893707
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
2-(4-chloro-3-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18074796
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 19201987
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406843
2-(2,6-dimethoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2494853

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[1-(cyclopropylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 42878034) is 2-[1-(cyclopropylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)COc2ccc3c(C(C)C)cc(=O)n(CC4CC4)c3c2)cc1OC.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is OSPFCIJCEWMRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O5/c1-18(2)23-15-28(32)30(16-20-5-6-20)24-14-21(8-9-22(23)24)35-17-27(31)29-12-11-19-7-10-25(33-3)26(13-19)34-4/h7-10,13-15,18,20H,5-6,11-12,16-17H2,1-4H3,(H,29,31).
What are the key properties of 2-[1-(cyclopropylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[1-(cyclopropylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 478.59 g/mol, XLogP of 4.29, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 42878034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).