N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide

C24H31N3OS — CID 15987887

IUPACN-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCC(C)CN(CCNC(=O)c1cc(-c2cccs2)nc2ccccc12)CC(C)C
InChIInChI=1S/C24H31N3OS/c1-17(2)15-27(16-18(3)4)12-11-25-24(28)20-14-22(23-10-7-13-29-23)26-21-9-6-5-8-19(20)21/h5-10,13-14,17-18H,11-12,15-16H2,1-4H3,(H,25,28)
InChIKeyYEFHPOIFBLKTBF-UHFFFAOYSA-N
MW409.60 g/mol
LogP5.31
Rot. Bonds9

About N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide

N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 15987887) has the molecular formula C24H31N3OS and a molecular weight of 409.60 g/mol. Its IUPAC name is N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID15987887
Molecular FormulaC24H31N3OS
Molecular Weight409.60 g/mol
Exact Mass409.22
IUPAC NameN-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCC(C)CN(CCNC(=O)c1cc(-c2cccs2)nc2ccccc12)CC(C)C
InChIInChI=1S/C24H31N3OS/c1-17(2)15-27(16-18(3)4)12-11-25-24(28)20-14-22(23-10-7-13-29-23)26-21-9-6-5-8-19(20)21/h5-10,13-14,17-18H,11-12,15-16H2,1-4H3,(H,25,28)
InChIKeyYEFHPOIFBLKTBF-UHFFFAOYSA-N
XLogP5.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.60
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4302865
N-[2-(cyclopropanecarbonylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 32968803
N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3296086
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 8733849
N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261855
N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3576119
N-[2-(3-chlorophenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 3439014
N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 4247339
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
4-(dimethylamino)-1-(2-thiophen-2-ylquinolin-4-yl)butan-1-one
CID 158550391
N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4164269

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 15987887) is N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide is CC(C)CN(CCNC(=O)c1cc(-c2cccs2)nc2ccccc12)CC(C)C.
What is the InChIKey of N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is YEFHPOIFBLKTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3OS/c1-17(2)15-27(16-18(3)4)12-11-25-24(28)20-14-22(23-10-7-13-29-23)26-21-9-6-5-8-19(20)21/h5-10,13-14,17-18H,11-12,15-16H2,1-4H3,(H,25,28).
What are the key properties of N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 409.60 g/mol, XLogP of 5.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 15987887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).