N-(3-bromoquinolin-8-yl)thiolane-3-carboxamide

C14H13BrN2OS — CID 116784684

IUPACN-(3-bromoquinolin-8-yl)thiolane-3-carboxamide
SMILESO=C(Nc1cccc2cc(Br)cnc12)C1CCSC1
InChIInChI=1S/C14H13BrN2OS/c15-11-6-9-2-1-3-12(13(9)16-7-11)17-14(18)10-4-5-19-8-10/h1-3,6-7,10H,4-5,8H2,(H,17,18)
InChIKeyYOQZURPUIWXMEN-UHFFFAOYSA-N
MW337.24 g/mol
LogP3.69
Rot. Bonds2

About N-(3-bromoquinolin-8-yl)thiolane-3-carboxamide

N-(3-bromoquinolin-8-yl)thiolane-3-carboxamide (PubChem CID 116784684) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is N-(3-bromoquinolin-8-yl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromoquinolin-8-yl)thiolane-3-carboxamide
PubChem CID116784684
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC NameN-(3-bromoquinolin-8-yl)thiolane-3-carboxamide
SMILESO=C(Nc1cccc2cc(Br)cnc12)C1CCSC1
InChIInChI=1S/C14H13BrN2OS/c15-11-6-9-2-1-3-12(13(9)16-7-11)17-14(18)10-4-5-19-8-10/h1-3,6-7,10H,4-5,8H2,(H,17,18)
InChIKeyYOQZURPUIWXMEN-UHFFFAOYSA-N
XLogP3.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 116784745
N-(3-bromoquinolin-8-yl)-1,3-thiazolidine-4-carboxamide
CID 116784376
N-(3-bromoquinolin-8-yl)-5-methyloxolane-3-carboxamide
CID 114825727
N-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide
CID 116784759
N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 116784789
N-(3-bromoquinolin-8-yl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide
CID 166203525
1-[(3-bromoquinolin-8-yl)carbamoyl]azetidine-3-carboxylic acid
CID 116785148
4-bromo-N-(3-bromoquinolin-8-yl)benzamide
CID 116784626
N-(3-bromoquinolin-8-yl)-2-piperidin-3-ylacetamide
CID 116784337
N-(3-bromoquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
CID 116784396
N-(3-hydroxy-2-methylphenyl)thiolane-3-carboxamide
CID 64795102
N-(3-bromoquinolin-8-yl)-2-hydroxybenzamide
CID 116784757

Frequently Asked Questions

What is the IUPAC name of N-(3-bromoquinolin-8-yl)thiolane-3-carboxamide?
The IUPAC name of N-(3-bromoquinolin-8-yl)thiolane-3-carboxamide (CID 116784684) is N-(3-bromoquinolin-8-yl)thiolane-3-carboxamide.
What is the SMILES notation for N-(3-bromoquinolin-8-yl)thiolane-3-carboxamide?
The canonical SMILES for N-(3-bromoquinolin-8-yl)thiolane-3-carboxamide is O=C(Nc1cccc2cc(Br)cnc12)C1CCSC1.
What is the InChIKey of N-(3-bromoquinolin-8-yl)thiolane-3-carboxamide?
The InChIKey is YOQZURPUIWXMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c15-11-6-9-2-1-3-12(13(9)16-7-11)17-14(18)10-4-5-19-8-10/h1-3,6-7,10H,4-5,8H2,(H,17,18).
What are the key properties of N-(3-bromoquinolin-8-yl)thiolane-3-carboxamide?
N-(3-bromoquinolin-8-yl)thiolane-3-carboxamide has a molecular weight of 337.24 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromoquinolin-8-yl)thiolane-3-carboxamide is sourced from PubChem (CID 116784684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).