N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide

C19H19ClN2OS — CID 1459862

IUPACN-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2nc1Cl
InChIInChI=1S/C19H19ClN2OS/c1-12-6-7-15-9-16(19(20)21-18(15)13(12)2)10-22(14(3)23)11-17-5-4-8-24-17/h4-9H,10-11H2,1-3H3
InChIKeyILNFFENMBIRWFR-UHFFFAOYSA-N
MW358.89 g/mol
LogP5.12
Rot. Bonds4

About N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide

N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 1459862) has the molecular formula C19H19ClN2OS and a molecular weight of 358.89 g/mol. Its IUPAC name is N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID1459862
Molecular FormulaC19H19ClN2OS
Molecular Weight358.89 g/mol
Exact Mass358.09
IUPAC NameN-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2nc1Cl
InChIInChI=1S/C19H19ClN2OS/c1-12-6-7-15-9-16(19(20)21-18(15)13(12)2)10-22(14(3)23)11-17-5-4-8-24-17/h4-9H,10-11H2,1-3H3
InChIKeyILNFFENMBIRWFR-UHFFFAOYSA-N
XLogP5.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.89
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(3-Cyano-5,8-dimethyl-quinolin-2-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 1450216
Cyclopropanecarboxylic acid (2-chloro-6-methyl-quinolin-3-ylmethyl)-thiophen-2-ylmethyl-amide
CID 1459825
1-(5-(2-chloro-6-methylquinolin-3-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 3456506
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 1459931
N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 16275606
2-(2-Chloro-3-quinolyl)-3-(m-tolyl)thiazolidin-4-one
CID 76327130
4-Methyl-10-phenyl-8-thiophen-2-yl-4,7-phenanthrolin-3-one
CID 135017523
5,8-Dimethyl-2-{[2-oxo-2-(pyrrolidin-1-YL)ethyl]sulfanyl}quinoline-3-carbonitrile
CID 855356
7,8-Dimethyl-2-{[2-oxo-2-(pyrrolidin-1-YL)ethyl]sulfanyl}quinoline-3-carbonitrile
CID 855686
2-[(3-Ethyl-6,7-dimethylquinolin-2-YL)sulfanyl]-1-(pyrrolidin-1-YL)ethanone
CID 857528
2-[(3-Cyano-7,8-dimethylquinolin-2-YL)sulfanyl]-N,N-diethylacetamide
CID 857850
1-Pyrrolidin-1-yl-2-(3,5,7-trimethylquinolin-2-yl)sulfanylethanone
CID 862916

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide (CID 1459862) is N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide is CC(=O)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2nc1Cl.
What is the InChIKey of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ILNFFENMBIRWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2OS/c1-12-6-7-15-9-16(19(20)21-18(15)13(12)2)10-22(14(3)23)11-17-5-4-8-24-17/h4-9H,10-11H2,1-3H3.
What are the key properties of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 358.89 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 1459862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).