N-[3-[butyl(methyl)amino]propyl]-2-thiophen-2-ylquinoline-4-carboxamide

C22H27N3OS — CID 22422668

IUPACN-[3-[butyl(methyl)amino]propyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCCCCN(C)CCCNC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C22H27N3OS/c1-3-4-13-25(2)14-8-12-23-22(26)18-16-20(21-11-7-15-27-21)24-19-10-6-5-9-17(18)19/h5-7,9-11,15-16H,3-4,8,12-14H2,1-2H3,(H,23,26)
InChIKeyBTTDGCNGIUYADV-UHFFFAOYSA-N
MW381.55 g/mol
LogP4.82
Rot. Bonds9

About N-[3-[butyl(methyl)amino]propyl]-2-thiophen-2-ylquinoline-4-carboxamide

N-[3-[butyl(methyl)amino]propyl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 22422668) has the molecular formula C22H27N3OS and a molecular weight of 381.55 g/mol. Its IUPAC name is N-[3-[butyl(methyl)amino]propyl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-[butyl(methyl)amino]propyl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID22422668
Molecular FormulaC22H27N3OS
Molecular Weight381.55 g/mol
Exact Mass381.19
IUPAC NameN-[3-[butyl(methyl)amino]propyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCCCCN(C)CCCNC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C22H27N3OS/c1-3-4-13-25(2)14-8-12-23-22(26)18-16-20(21-11-7-15-27-21)24-19-10-6-5-9-17(18)19/h5-7,9-11,15-16H,3-4,8,12-14H2,1-2H3,(H,23,26)
InChIKeyBTTDGCNGIUYADV-UHFFFAOYSA-N
XLogP4.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide
CID 588963
5-(2-methyl-1h-indol-1-yl)-N-propylthiophene-2-carboxamide
CID 44481106
Benzo[b]thiophen-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606339
6,11-Dihydro-5-thia-11-aza-benzo[alpha]fluorene-6-carboxylic acid diethylamide
CID 57852692
N-(3-methylbutyl)-2-thien-2-ylquinoline-4-carboxamide
CID 4227699
Cambridge id 7007502
CID 753478
N-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2052939
2-(Thiophen-2-yl)quinoline-4-carbohydrazide
CID 5102481
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(6-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 71714533
4-Quinolinecarboxamide,n-cyclopentyl-2-methyl-
CID 757639
N-butyl-2-methylquinoline-4-carboxamide
CID 2108581
N-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide
CID 2525578

Frequently Asked Questions

What is the IUPAC name of N-[3-[butyl(methyl)amino]propyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[3-[butyl(methyl)amino]propyl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 22422668) is N-[3-[butyl(methyl)amino]propyl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-[butyl(methyl)amino]propyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[3-[butyl(methyl)amino]propyl]-2-thiophen-2-ylquinoline-4-carboxamide is CCCCN(C)CCCNC(=O)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-[3-[butyl(methyl)amino]propyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is BTTDGCNGIUYADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3OS/c1-3-4-13-25(2)14-8-12-23-22(26)18-16-20(21-11-7-15-27-21)24-19-10-6-5-9-17(18)19/h5-7,9-11,15-16H,3-4,8,12-14H2,1-2H3,(H,23,26).
What are the key properties of N-[3-[butyl(methyl)amino]propyl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[3-[butyl(methyl)amino]propyl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 381.55 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[butyl(methyl)amino]propyl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 22422668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).