2-(2,3-diethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide

C26H31N3O4 — CID 46364061

IUPAC2-(2,3-diethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide
SMILESCCOc1cccc(CC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)c1OCC
InChIInChI=1S/C26H31N3O4/c1-4-32-23-8-6-7-19(26(23)33-5-2)16-25(30)27-20-9-10-22-21(17-20)18(3)15-24(28-22)29-11-13-31-14-12-29/h6-10,15,17H,4-5,11-14,16H2,1-3H3,(H,27,30)
InChIKeyVNSZSYNABHTYJZ-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.36
Rot. Bonds8

About 2-(2,3-diethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide

2-(2,3-diethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide (PubChem CID 46364061) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is 2-(2,3-diethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-diethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide
PubChem CID46364061
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name2-(2,3-diethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide
SMILESCCOc1cccc(CC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)c1OCC
InChIInChI=1S/C26H31N3O4/c1-4-32-23-8-6-7-19(26(23)33-5-2)16-25(30)27-20-9-10-22-21(17-20)18(3)15-24(28-22)29-11-13-31-14-12-29/h6-10,15,17H,4-5,11-14,16H2,1-3H3,(H,27,30)
InChIKeyVNSZSYNABHTYJZ-UHFFFAOYSA-N
XLogP4.36
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,3-diethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide with MolForge

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Related Compounds

N'-(2-ethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426976
N-[(2-ethoxyphenyl)methyl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 122174501
2-ethyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanamide
CID 46364051
2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide
CID 5067109
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-(4-methylphenoxy)acetamide
CID 126478908
ethyl 2-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)carbamoylamino]acetate
CID 46288473
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)pyridine-2-carboxamide
CID 4662676
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide
CID 22426962
2-ethoxy-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide
CID 3236794
N-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426993
N-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426968
N-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 22427017

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-diethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide?
The IUPAC name of 2-(2,3-diethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide (CID 46364061) is 2-(2,3-diethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide.
What is the SMILES notation for 2-(2,3-diethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide?
The canonical SMILES for 2-(2,3-diethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide is CCOc1cccc(CC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)c1OCC.
What is the InChIKey of 2-(2,3-diethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide?
The InChIKey is VNSZSYNABHTYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-4-32-23-8-6-7-19(26(23)33-5-2)16-25(30)27-20-9-10-22-21(17-20)18(3)15-24(28-22)29-11-13-31-14-12-29/h6-10,15,17H,4-5,11-14,16H2,1-3H3,(H,27,30).
What are the key properties of 2-(2,3-diethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide?
2-(2,3-diethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide has a molecular weight of 449.55 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-diethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide is sourced from PubChem (CID 46364061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).