N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide

C19H19ClN2O2S — CID 1459828

IUPACN-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide
SMILESCOCC(=O)N(Cc1cccs1)Cc1cc2cc(C)ccc2nc1Cl
InChIInChI=1S/C19H19ClN2O2S/c1-13-5-6-17-14(8-13)9-15(19(20)21-17)10-22(18(23)12-24-2)11-16-4-3-7-25-16/h3-9H,10-12H2,1-2H3
InChIKeySLZMFOMATBJIDA-UHFFFAOYSA-N
MW374.89 g/mol
LogP4.43
Rot. Bonds6

About N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide

N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 1459828) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide
PubChem CID1459828
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC NameN-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide
SMILESCOCC(=O)N(Cc1cccs1)Cc1cc2cc(C)ccc2nc1Cl
InChIInChI=1S/C19H19ClN2O2S/c1-13-5-6-17-14(8-13)9-15(19(20)21-17)10-22(18(23)12-24-2)11-16-4-3-7-25-16/h3-9H,10-12H2,1-2H3
InChIKeySLZMFOMATBJIDA-UHFFFAOYSA-N
XLogP4.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide
CID 1459867
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 162655577
2-methoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 1459552
N-benzyl-N-[(2-chloro-6-methylquinolin-3-yl)methyl]propanamide
CID 1459799
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentyl-2-methoxyacetamide
CID 856832
N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide
CID 1459597
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 162649573
N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide
CID 1460017
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1459808
1-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]-3,3-dimethylurea
CID 1459843
N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 3216993
N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-methoxyethyl)acetamide
CID 3216975

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide (CID 1459828) is N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide is COCC(=O)N(Cc1cccs1)Cc1cc2cc(C)ccc2nc1Cl.
What is the InChIKey of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is SLZMFOMATBJIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-13-5-6-17-14(8-13)9-15(19(20)21-17)10-22(18(23)12-24-2)11-16-4-3-7-25-16/h3-9H,10-12H2,1-2H3.
What are the key properties of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide?
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 374.89 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 1459828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).