2-[(7-chloroquinolin-1-ium-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide

C20H21ClN3O+ — CID 7873536

IUPAC2-[(7-chloroquinolin-1-ium-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)c1cc[nH+]c2cc(Cl)ccc12
InChIInChI=1S/C20H20ClN3O/c1-13-5-4-6-14(2)20(13)23-19(25)12-24(3)18-9-10-22-17-11-15(21)7-8-16(17)18/h4-11H,12H2,1-3H3,(H,23,25)/p+1
InChIKeySOZLTXHSQULXSF-UHFFFAOYSA-O
MW354.86 g/mol
LogP4.00
Rot. Bonds4

About 2-[(7-chloroquinolin-1-ium-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide

2-[(7-chloroquinolin-1-ium-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 7873536) has the molecular formula C20H21ClN3O+ and a molecular weight of 354.86 g/mol. Its IUPAC name is 2-[(7-chloroquinolin-1-ium-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(7-chloroquinolin-1-ium-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID7873536
Molecular FormulaC20H21ClN3O+
Molecular Weight354.86 g/mol
Exact Mass354.14
IUPAC Name2-[(7-chloroquinolin-1-ium-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)c1cc[nH+]c2cc(Cl)ccc12
InChIInChI=1S/C20H20ClN3O/c1-13-5-4-6-14(2)20(13)23-19(25)12-24(3)18-9-10-22-17-11-15(21)7-8-16(17)18/h4-11H,12H2,1-3H3,(H,23,25)/p+1
InChIKeySOZLTXHSQULXSF-UHFFFAOYSA-O
XLogP4.00
TPSA46.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-N,2-dimethylanilino)-N-(2-chloro-6-methylphenyl)acetamide
CID 90930035
3,6-dichloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 27788256
2-[(6-chloroquinolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 133339048
N-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 46601522
N-(2-amino-5-chlorophenyl)-2-(N,2-dimethylanilino)acetamide
CID 62002960
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113166924
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 17449089
2-(4-chloro-N-methyl-2-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9185746
2-(4-chloro-2-methylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 803437
N-(2-chloro-6-methylphenyl)-4-(7-chloroquinolin-1-ium-4-yl)piperazine-1-carboxamide
CID 7189217
2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 26941934
2,4-dichloro-N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
CID 27788350

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloroquinolin-1-ium-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[(7-chloroquinolin-1-ium-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide (CID 7873536) is 2-[(7-chloroquinolin-1-ium-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(7-chloroquinolin-1-ium-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(7-chloroquinolin-1-ium-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN(C)c1cc[nH+]c2cc(Cl)ccc12.
What is the InChIKey of 2-[(7-chloroquinolin-1-ium-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is SOZLTXHSQULXSF-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H20ClN3O/c1-13-5-4-6-14(2)20(13)23-19(25)12-24(3)18-9-10-22-17-11-15(21)7-8-16(17)18/h4-11H,12H2,1-3H3,(H,23,25)/p+1.
What are the key properties of 2-[(7-chloroquinolin-1-ium-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide?
2-[(7-chloroquinolin-1-ium-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 354.86 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloroquinolin-1-ium-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 7873536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).