N-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide

C16H15BrN2O — CID 116784745

IUPACN-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1cccc2cc(Br)cnc12)C1CC2CC2C1
InChIInChI=1S/C16H15BrN2O/c17-13-7-9-2-1-3-14(15(9)18-8-13)19-16(20)12-5-10-4-11(10)6-12/h1-3,7-8,10-12H,4-6H2,(H,19,20)
InChIKeyZMPOJHGFWBSUFL-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.98
Rot. Bonds2

About N-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide

N-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 116784745) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is N-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID116784745
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC NameN-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1cccc2cc(Br)cnc12)C1CC2CC2C1
InChIInChI=1S/C16H15BrN2O/c17-13-7-9-2-1-3-14(15(9)18-8-13)19-16(20)12-5-10-4-11(10)6-12/h1-3,7-8,10-12H,4-6H2,(H,19,20)
InChIKeyZMPOJHGFWBSUFL-UHFFFAOYSA-N
XLogP3.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide
CID 116784759
N-(3-bromoquinolin-8-yl)-5-methyloxolane-3-carboxamide
CID 114825727
N-(3-bromoquinolin-8-yl)thiolane-3-carboxamide
CID 116784684
N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 116784789
N-(3-bromoquinolin-8-yl)-1,3-thiazolidine-4-carboxamide
CID 116784376
1-[(3-bromoquinolin-8-yl)carbamoyl]azetidine-3-carboxylic acid
CID 116785148
N-(3-bromoquinolin-8-yl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide
CID 166203525
4-bromo-N-(3-bromoquinolin-8-yl)benzamide
CID 116784626
N-(3-bromoquinolin-8-yl)-2-hydroxybenzamide
CID 116784757
N-(3-bromoquinolin-8-yl)-6-chloropyridine-3-carboxamide
CID 116783827
N-(3-bromoquinolin-8-yl)-3-hydroxypyridine-2-carboxamide
CID 116784767
N-(3-bromoquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
CID 116784396

Frequently Asked Questions

What is the IUPAC name of N-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide (CID 116784745) is N-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide is O=C(Nc1cccc2cc(Br)cnc12)C1CC2CC2C1.
What is the InChIKey of N-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is ZMPOJHGFWBSUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c17-13-7-9-2-1-3-14(15(9)18-8-13)19-16(20)12-5-10-4-11(10)6-12/h1-3,7-8,10-12H,4-6H2,(H,19,20).
What are the key properties of N-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide?
N-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 331.21 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 116784745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).