2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide

C19H19N3O — CID 109007395

IUPAC2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide
SMILESCc1ccc(C)c(NCC(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C19H19N3O/c1-13-8-9-14(2)17(11-13)21-12-18(23)22-16-7-3-5-15-6-4-10-20-19(15)16/h3-11,21H,12H2,1-2H3,(H,22,23)
InChIKeyXEVHWXOSHKYWFZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.90
Rot. Bonds4

About 2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide

2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide (PubChem CID 109007395) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide
PubChem CID109007395
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide
SMILESCc1ccc(C)c(NCC(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C19H19N3O/c1-13-8-9-14(2)17(11-13)21-12-18(23)22-16-7-3-5-15-6-4-10-20-19(15)16/h3-11,21H,12H2,1-2H3,(H,22,23)
InChIKeyXEVHWXOSHKYWFZ-UHFFFAOYSA-N
XLogP3.90
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
CID 48742637
N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide
CID 1121409
2-(3-methylphenyl)-N-quinolin-8-ylacetamide
CID 113098821
N-(2-methoxy-5-methylphenyl)-3-(quinolin-8-ylamino)propanamide
CID 109040020
3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide
CID 113124439
N-(2-bromophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010779
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109266661
2-(4-chloro-2,5-dimethoxyanilino)-N-quinolin-8-ylacetamide
CID 109011007
N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008069
N-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010978
2-(2-methoxyethylamino)-N-quinolin-8-ylacetamide
CID 79282594

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide?
The IUPAC name of 2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide (CID 109007395) is 2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide is Cc1ccc(C)c(NCC(=O)Nc2cccc3cccnc23)c1.
What is the InChIKey of 2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide?
The InChIKey is XEVHWXOSHKYWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13-8-9-14(2)17(11-13)21-12-18(23)22-16-7-3-5-15-6-4-10-20-19(15)16/h3-11,21H,12H2,1-2H3,(H,22,23).
What are the key properties of 2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide?
2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide has a molecular weight of 305.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide is sourced from PubChem (CID 109007395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).