2-(2,4-dichlorophenoxy)-N-[2-[2-hydroxyethyl(methyl)amino]-4-methylquinolin-6-yl]acetamide

C21H21Cl2N3O3 — CID 11495754

IUPAC2-(2,4-dichlorophenoxy)-N-[2-[2-hydroxyethyl(methyl)amino]-4-methylquinolin-6-yl]acetamide
SMILESCc1cc(N(C)CCO)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C21H21Cl2N3O3/c1-13-9-20(26(2)7-8-27)25-18-5-4-15(11-16(13)18)24-21(28)12-29-19-6-3-14(22)10-17(19)23/h3-6,9-11,27H,7-8,12H2,1-2H3,(H,24,28)
InChIKeyFKLOHGYBYOWNQD-UHFFFAOYSA-N
MW434.32 g/mol
LogP4.30
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[2-[2-hydroxyethyl(methyl)amino]-4-methylquinolin-6-yl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-[2-hydroxyethyl(methyl)amino]-4-methylquinolin-6-yl]acetamide (PubChem CID 11495754) has the molecular formula C21H21Cl2N3O3 and a molecular weight of 434.32 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-[2-hydroxyethyl(methyl)amino]-4-methylquinolin-6-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-[2-hydroxyethyl(methyl)amino]-4-methylquinolin-6-yl]acetamide
PubChem CID11495754
Molecular FormulaC21H21Cl2N3O3
Molecular Weight434.32 g/mol
Exact Mass433.10
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-[2-hydroxyethyl(methyl)amino]-4-methylquinolin-6-yl]acetamide
SMILESCc1cc(N(C)CCO)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C21H21Cl2N3O3/c1-13-9-20(26(2)7-8-27)25-18-5-4-15(11-16(13)18)24-21(28)12-29-19-6-3-14(22)10-17(19)23/h3-6,9-11,27H,7-8,12H2,1-2H3,(H,24,28)
InChIKeyFKLOHGYBYOWNQD-UHFFFAOYSA-N
XLogP4.30
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[2-hydroxyethyl(methyl)amino]-4-methylquinolin-6-yl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[2-hydroxyethyl(methyl)amino]-4-methylquinolin-6-yl]acetamide (CID 11495754) is 2-(2,4-dichlorophenoxy)-N-[2-[2-hydroxyethyl(methyl)amino]-4-methylquinolin-6-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-[2-hydroxyethyl(methyl)amino]-4-methylquinolin-6-yl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-[2-hydroxyethyl(methyl)amino]-4-methylquinolin-6-yl]acetamide is Cc1cc(N(C)CCO)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-[2-hydroxyethyl(methyl)amino]-4-methylquinolin-6-yl]acetamide?
The InChIKey is FKLOHGYBYOWNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O3/c1-13-9-20(26(2)7-8-27)25-18-5-4-15(11-16(13)18)24-21(28)12-29-19-6-3-14(22)10-17(19)23/h3-6,9-11,27H,7-8,12H2,1-2H3,(H,24,28).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-[2-hydroxyethyl(methyl)amino]-4-methylquinolin-6-yl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-[2-hydroxyethyl(methyl)amino]-4-methylquinolin-6-yl]acetamide has a molecular weight of 434.32 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-[2-hydroxyethyl(methyl)amino]-4-methylquinolin-6-yl]acetamide is sourced from PubChem (CID 11495754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).