N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-(pyridin-2-ylcarbamoylamino)acetamide

C26H23Cl2N5O3 — CID 22113049

IUPACN-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-(pyridin-2-ylcarbamoylamino)acetamide
SMILESCc1ccc2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Nc4ccccn4)c3Cl)c2n1
InChIInChI=1S/C26H23Cl2N5O3/c1-16-9-10-17-6-5-7-21(25(17)31-16)36-15-18-19(27)11-12-20(24(18)28)33(2)23(34)14-30-26(35)32-22-8-3-4-13-29-22/h3-13H,14-15H2,1-2H3,(H2,29,30,32,35)
InChIKeyFCQYCMFSTSPFNJ-UHFFFAOYSA-N
MW524.41 g/mol
LogP5.61
Rot. Bonds7

About N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-(pyridin-2-ylcarbamoylamino)acetamide

N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-(pyridin-2-ylcarbamoylamino)acetamide (PubChem CID 22113049) has the molecular formula C26H23Cl2N5O3 and a molecular weight of 524.41 g/mol. Its IUPAC name is N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-(pyridin-2-ylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-(pyridin-2-ylcarbamoylamino)acetamide
PubChem CID22113049
Molecular FormulaC26H23Cl2N5O3
Molecular Weight524.41 g/mol
Exact Mass523.12
IUPAC NameN-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-(pyridin-2-ylcarbamoylamino)acetamide
SMILESCc1ccc2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Nc4ccccn4)c3Cl)c2n1
InChIInChI=1S/C26H23Cl2N5O3/c1-16-9-10-17-6-5-7-21(25(17)31-16)36-15-18-19(27)11-12-20(24(18)28)33(2)23(34)14-30-26(35)32-22-8-3-4-13-29-22/h3-13H,14-15H2,1-2H3,(H2,29,30,32,35)
InChIKeyFCQYCMFSTSPFNJ-UHFFFAOYSA-N
XLogP5.61
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.41
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-(pyridin-3-ylcarbamoylamino)acetamide;dihydrochloride
CID 22112918
N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-2-[[3-(dimethylamino)phenyl]carbamoylamino]-N-methylacetamide;dihydrochloride
CID 22113402
2-[(4-acetylphenyl)carbamoylamino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 22112943
2-[(3-acetylphenyl)carbamoylamino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 22113194
2-[(2-bromoacetyl)amino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 19603254
3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]-N,N-dimethylbenzamide
CID 22113120
2-[(3-cyanophenyl)carbamoylamino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 19710624
N-[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]-3-phenylprop-2-enamide;hydrochloride
CID 70180688
5-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]pyridine-3-carboxylic acid
CID 19603319
N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-2-[[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]carbamoylamino]-N-methylacetamide
CID 22113388
3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]-N,N-diethylbenzamide;hydrochloride
CID 22113279
3-(6-acetamido-3-pyridinyl)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]prop-2-enamide;hydrate
CID 70032698

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-(pyridin-2-ylcarbamoylamino)acetamide?
The IUPAC name of N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-(pyridin-2-ylcarbamoylamino)acetamide (CID 22113049) is N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-(pyridin-2-ylcarbamoylamino)acetamide.
What is the SMILES notation for N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-(pyridin-2-ylcarbamoylamino)acetamide?
The canonical SMILES for N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-(pyridin-2-ylcarbamoylamino)acetamide is Cc1ccc2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Nc4ccccn4)c3Cl)c2n1.
What is the InChIKey of N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-(pyridin-2-ylcarbamoylamino)acetamide?
The InChIKey is FCQYCMFSTSPFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N5O3/c1-16-9-10-17-6-5-7-21(25(17)31-16)36-15-18-19(27)11-12-20(24(18)28)33(2)23(34)14-30-26(35)32-22-8-3-4-13-29-22/h3-13H,14-15H2,1-2H3,(H2,29,30,32,35).
What are the key properties of N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-(pyridin-2-ylcarbamoylamino)acetamide?
N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-(pyridin-2-ylcarbamoylamino)acetamide has a molecular weight of 524.41 g/mol, XLogP of 5.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-(pyridin-2-ylcarbamoylamino)acetamide is sourced from PubChem (CID 22113049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).