N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-(2,4-dichlorophenoxy)acetamide

C23H24Cl2N4O2 — CID 58646148

IUPACN-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCc1cc(N2CCC(N)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C23H24Cl2N4O2/c1-14-10-22(29-8-6-16(26)7-9-29)28-20-4-3-17(12-18(14)20)27-23(30)13-31-21-5-2-15(24)11-19(21)25/h2-5,10-12,16H,6-9,13,26H2,1H3,(H,27,30)
InChIKeyIXFLECGCUDDFMA-UHFFFAOYSA-N
MW459.38 g/mol
LogP4.80
Rot. Bonds5

About N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-(2,4-dichlorophenoxy)acetamide

N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 58646148) has the molecular formula C23H24Cl2N4O2 and a molecular weight of 459.38 g/mol. Its IUPAC name is N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID58646148
Molecular FormulaC23H24Cl2N4O2
Molecular Weight459.38 g/mol
Exact Mass458.13
IUPAC NameN-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCc1cc(N2CCC(N)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C23H24Cl2N4O2/c1-14-10-22(29-8-6-16(26)7-9-29)28-20-4-3-17(12-18(14)20)27-23(30)13-31-21-5-2-15(24)11-19(21)25/h2-5,10-12,16H,6-9,13,26H2,1H3,(H,27,30)
InChIKeyIXFLECGCUDDFMA-UHFFFAOYSA-N
XLogP4.80
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.38
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
CID 58646209
2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]acetamide
CID 11512135
(2S)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide
CID 92654185
(2R)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide
CID 92654184
N-(9-chloro-5,6,7,8-tetrahydroacridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 5130019
2-(2,4-dichlorophenoxy)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 122287476
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-(4-methylphenoxy)acetamide
CID 126478908
3-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]propanamide
CID 142905279
N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide
CID 11705240
N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide
CID 15995206
[bis(fluorosulfanyl)-[4-[2-[[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinolin-6-yl]amino]-2-oxoethoxy]phenoxy]methyl] thiohypofluorite
CID 87909139
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-(2,4-dichlorophenoxy)acetamide (CID 58646148) is N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-(2,4-dichlorophenoxy)acetamide is Cc1cc(N2CCC(N)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12.
What is the InChIKey of N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is IXFLECGCUDDFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O2/c1-14-10-22(29-8-6-16(26)7-9-29)28-20-4-3-17(12-18(14)20)27-23(30)13-31-21-5-2-15(24)11-19(21)25/h2-5,10-12,16H,6-9,13,26H2,1H3,(H,27,30).
What are the key properties of N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-(2,4-dichlorophenoxy)acetamide?
N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 459.38 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 58646148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).