N-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide

C14H13BrN2O — CID 116784759

IUPACN-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C14H13BrN2O/c1-8-5-11(8)14(18)17-12-4-2-3-9-6-10(15)7-16-13(9)12/h2-4,6-8,11H,5H2,1H3,(H,17,18)
InChIKeyHGJNAWOYSXIJSE-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.59
Rot. Bonds2

About N-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide

N-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide (PubChem CID 116784759) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is N-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide
PubChem CID116784759
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC NameN-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C14H13BrN2O/c1-8-5-11(8)14(18)17-12-4-2-3-9-6-10(15)7-16-13(9)12/h2-4,6-8,11H,5H2,1H3,(H,17,18)
InChIKeyHGJNAWOYSXIJSE-UHFFFAOYSA-N
XLogP3.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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)-5-methyloxolane-3-carboxamide
CID 114825727
N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 116784789
N-(3-bromoquinolin-8-yl)thiolane-3-carboxamide
CID 116784684
N-(3-bromoquinolin-8-yl)-1,3-thiazolidine-4-carboxamide
CID 116784376
4-bromo-N-(3-bromoquinolin-8-yl)benzamide
CID 116784626
N-(3-bromoquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 116784693
1-[(3-bromoquinolin-8-yl)carbamoyl]azetidine-3-carboxylic acid
CID 116785148
N-(3-bromoquinolin-8-yl)-2-hydroxybenzamide
CID 116784757
N-(2-bromo-3-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 103819502
N-(3-bromoquinolin-8-yl)-6-chloropyridine-3-carboxamide
CID 116783827
N-(3-bromoquinolin-8-yl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide
CID 166203525

Frequently Asked Questions

What is the IUPAC name of N-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide (CID 116784759) is N-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1cccc2cc(Br)cnc12.
What is the InChIKey of N-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is HGJNAWOYSXIJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-8-5-11(8)14(18)17-12-4-2-3-9-6-10(15)7-16-13(9)12/h2-4,6-8,11H,5H2,1H3,(H,17,18).
What are the key properties of N-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide?
N-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 305.18 g/mol, XLogP of 3.59, 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)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 116784759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).