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

C20H19ClN2OS — CID 1459825

IUPACN-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide
SMILESCc1ccc2nc(Cl)c(CN(Cc3cccs3)C(=O)C3CC3)cc2c1
InChIInChI=1S/C20H19ClN2OS/c1-13-4-7-18-15(9-13)10-16(19(21)22-18)11-23(20(24)14-5-6-14)12-17-3-2-8-25-17/h2-4,7-10,14H,5-6,11-12H2,1H3
InChIKeyWUIAYOAATLYBCP-UHFFFAOYSA-N
MW370.91 g/mol
LogP5.20
Rot. Bonds5

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

N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide (PubChem CID 1459825) has the molecular formula C20H19ClN2OS and a molecular weight of 370.91 g/mol. Its IUPAC name is N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide
PubChem CID1459825
Molecular FormulaC20H19ClN2OS
Molecular Weight370.91 g/mol
Exact Mass370.09
IUPAC NameN-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide
SMILESCc1ccc2nc(Cl)c(CN(Cc3cccs3)C(=O)C3CC3)cc2c1
InChIInChI=1S/C20H19ClN2OS/c1-13-4-7-18-15(9-13)10-16(19(21)22-18)11-23(20(24)14-5-6-14)12-17-3-2-8-25-17/h2-4,7-10,14H,5-6,11-12H2,1H3
InChIKeyWUIAYOAATLYBCP-UHFFFAOYSA-N
XLogP5.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.91
LogP ≤ 55.20
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

(E)-3-(2-chloro-6-methyl-3-quinolyl)-1-(3-thienyl)prop-2-en-1-one
CID 45258773
(E)-3-(2-chloro-6-methyl-3-quinolyl)-1-(3-methyl-2-thienyl)prop-2-en-1-one
CID 45258774
(E)-3-(2-chloro-6-methyl-3-quinolyl)-1-(4-methyl-2-thienyl)prop-2-en-1-one
CID 45258871
(E)-3-(2-chloro-6-methyl-3-quinolyl)-1-(5-methyl-2-thienyl)prop-2-en-1-one
CID 45258872
(E)-3-(2-chloro-6-methyl-3-quinolyl)-1-(2,5-dimethyl-3-thienyl)prop-2-en-1-one
CID 45258873
(E)-3-(2-chloro-6-methyl-3-quinolyl)-1-(3-chloro-2-thienyl)prop-2-en-1-one
CID 45258874
(E)-3-(2-chloro-6-methyl-3-quinolyl)-1-(5-chloro-2-thienyl)prop-2-en-1-one
CID 45258875
(E)-3-(2-chloro-6-methyl-3-quinolyl)-1-(2,5-dichloro-3-thienyl)prop-2-en-1-one
CID 45258876
N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-5-thiophen-2-ylpentanamide
CID 56930476
2-(5-Chloro-2-thienyl)-4-[(4-ethyl-1-piperazinyl)carbonyl]quinoline
CID 1223084
4-chloro-8-methyl-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide
CID 16194083
1-(5-(2-chloro-6-methylquinolin-3-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 3456506

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide?
The IUPAC name of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide (CID 1459825) is N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide?
The canonical SMILES for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide is Cc1ccc2nc(Cl)c(CN(Cc3cccs3)C(=O)C3CC3)cc2c1.
What is the InChIKey of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide?
The InChIKey is WUIAYOAATLYBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2OS/c1-13-4-7-18-15(9-13)10-16(19(21)22-18)11-23(20(24)14-5-6-14)12-17-3-2-8-25-17/h2-4,7-10,14H,5-6,11-12H2,1H3.
What are the key properties of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide?
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide has a molecular weight of 370.91 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide is sourced from PubChem (CID 1459825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).