N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide

C20H21N3O2S — CID 8733849

IUPACN-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H21N3O2S/c1-3-10-21-19(24)13(2)22-20(25)15-12-17(18-9-6-11-26-18)23-16-8-5-4-7-14(15)16/h4-9,11-13H,3,10H2,1-2H3,(H,21,24)(H,22,25)/t13-/m1/s1
InChIKeyGWEJWYJMVSIBTA-CYBMUJFWSA-N
MW367.47 g/mol
LogP3.61
Rot. Bonds6

About N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide

N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 8733849) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID8733849
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H21N3O2S/c1-3-10-21-19(24)13(2)22-20(25)15-12-17(18-9-6-11-26-18)23-16-8-5-4-7-14(15)16/h4-9,11-13H,3,10H2,1-2H3,(H,21,24)(H,22,25)/t13-/m1/s1
InChIKeyGWEJWYJMVSIBTA-CYBMUJFWSA-N
XLogP3.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3576119
N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261855
1,3-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46540837
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 15987887
N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 4247339
N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3296086
N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261789
N-[2-(cyclopropanecarbonylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 32968803
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 2693325
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 129376502
N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261690

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 8733849) is N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide is CCCNC(=O)[C@@H](C)NC(=O)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is GWEJWYJMVSIBTA-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-3-10-21-19(24)13(2)22-20(25)15-12-17(18-9-6-11-26-18)23-16-8-5-4-7-14(15)16/h4-9,11-13H,3,10H2,1-2H3,(H,21,24)(H,22,25)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 8733849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).