N-(2-oxoazepan-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide

C20H19N3O2S — CID 55812409

IUPACN-(2-oxoazepan-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NC1CCCCNC1=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H19N3O2S/c24-19(23-16-8-3-4-10-21-20(16)25)14-12-17(18-9-5-11-26-18)22-15-7-2-1-6-13(14)15/h1-2,5-7,9,11-12,16H,3-4,8,10H2,(H,21,25)(H,23,24)
InChIKeyQPSNGRPADJVSAV-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.36
Rot. Bonds3

About N-(2-oxoazepan-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(2-oxoazepan-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 55812409) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID55812409
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-(2-oxoazepan-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NC1CCCCNC1=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H19N3O2S/c24-19(23-16-8-3-4-10-21-20(16)25)14-12-17(18-9-5-11-26-18)22-15-7-2-1-6-13(14)15/h1-2,5-7,9,11-12,16H,3-4,8,10H2,(H,21,25)(H,23,24)
InChIKeyQPSNGRPADJVSAV-UHFFFAOYSA-N
XLogP3.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide
CID 94130731
N-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
CID 119509830
N-(piperidin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
CID 119459873
1-(3-methylphenyl)-N-(2-oxoazepan-3-yl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762100
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2090181
2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768
N-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55501818
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 120946099
N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659167
N'-(cyclohepten-1-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 2327036
N-(2-oxoazepan-3-yl)-3-phenylthiophene-2-carboxamide
CID 51089156

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-oxoazepan-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 55812409) is N-(2-oxoazepan-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide is O=C(NC1CCCCNC1=O)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(2-oxoazepan-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is QPSNGRPADJVSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-19(23-16-8-3-4-10-21-20(16)25)14-12-17(18-9-5-11-26-18)22-15-7-2-1-6-13(14)15/h1-2,5-7,9,11-12,16H,3-4,8,10H2,(H,21,25)(H,23,24).
What are the key properties of N-(2-oxoazepan-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(2-oxoazepan-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 55812409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).