N-butyl-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide

C19H20N2OS — CID 3772105

IUPACN-butyl-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide
SMILESCCCCN(Cc1cccs1)C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C19H20N2OS/c1-2-3-12-21(14-16-8-6-13-23-16)19(22)18-11-10-15-7-4-5-9-17(15)20-18/h4-11,13H,2-3,12,14H2,1H3
InChIKeyMWSXMUABNASKDK-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.74
Rot. Bonds6

About N-butyl-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide

N-butyl-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide (PubChem CID 3772105) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is N-butyl-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide
PubChem CID3772105
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC NameN-butyl-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide
SMILESCCCCN(Cc1cccs1)C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C19H20N2OS/c1-2-3-12-21(14-16-8-6-13-23-16)19(22)18-11-10-15-7-4-5-9-17(15)20-18/h4-11,13H,2-3,12,14H2,1H3
InChIKeyMWSXMUABNASKDK-UHFFFAOYSA-N
XLogP4.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-butyl-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide
CID 2444224
N-butyl-2-chloro-N-(thiophen-2-ylmethyl)acetamide
CID 15063295
6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61437390
2-[bis(thiophen-2-ylmethyl)carbamoyl-butylamino]acetic acid
CID 118113458
N-butyl-1-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 59240495
N-ethyl-N-methylquinoline-2-carboxamide
CID 19793658
N-butyl-N-(thiophen-3-ylmethyl)-1,8-naphthyridine-2-carboxamide
CID 50963964
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-butyl-2-chloropropanamide
CID 4032692
N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
CID 135549132
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-butyl-2-phenylbutanamide
CID 3979409
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)butanamide
CID 135429075
N-(3-amino-2,2-dimethylpropyl)-N-ethylquinoline-2-carboxamide
CID 79663389

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide?
The IUPAC name of N-butyl-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide (CID 3772105) is N-butyl-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide.
What is the SMILES notation for N-butyl-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide?
The canonical SMILES for N-butyl-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide is CCCCN(Cc1cccs1)C(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-butyl-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide?
The InChIKey is MWSXMUABNASKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-2-3-12-21(14-16-8-6-13-23-16)19(22)18-11-10-15-7-4-5-9-17(15)20-18/h4-11,13H,2-3,12,14H2,1H3.
What are the key properties of N-butyl-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide?
N-butyl-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide is sourced from PubChem (CID 3772105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).