(5-bromoquinolin-8-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine

C15H13BrN4O — CID 115959894

IUPAC(5-bromoquinolin-8-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESNC(c1noc(C2CC2)n1)c1ccc(Br)c2cccnc12
InChIInChI=1S/C15H13BrN4O/c16-11-6-5-10(13-9(11)2-1-7-18-13)12(17)14-19-15(21-20-14)8-3-4-8/h1-2,5-8,12H,3-4,17H2
InChIKeyNMRQYEZKCVTMQK-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.31
Rot. Bonds3

About (5-bromoquinolin-8-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine

(5-bromoquinolin-8-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 115959894) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is (5-bromoquinolin-8-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-bromoquinolin-8-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID115959894
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name(5-bromoquinolin-8-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESNC(c1noc(C2CC2)n1)c1ccc(Br)c2cccnc12
InChIInChI=1S/C15H13BrN4O/c16-11-6-5-10(13-9(11)2-1-7-18-13)12(17)14-19-15(21-20-14)8-3-4-8/h1-2,5-8,12H,3-4,17H2
InChIKeyNMRQYEZKCVTMQK-UHFFFAOYSA-N
XLogP3.31
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-bromoquinolin-8-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine with MolForge

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Related Compounds

(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-isoquinolin-4-ylmethanamine
CID 104504558
(S)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(2-methoxyphenyl)methanamine
CID 93243858
(3-bromo-4-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559740
(5-bromoquinolin-8-yl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
CID 115959866
(4-bromothiophen-2-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
CID 61346630
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanamine
CID 43559726
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(1,3-dimethylpyrazol-4-yl)methanamine
CID 83091641
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43559769
2-bromo-2-(5-bromoquinolin-8-yl)acetonitrile
CID 112618353
(3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide
CID 103940793
(5-bromoquinolin-8-yl)-(1,1-dioxothiolan-3-yl)methanol
CID 115960199
(4-chloro-3-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
CID 54980431

Frequently Asked Questions

What is the IUPAC name of (5-bromoquinolin-8-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (5-bromoquinolin-8-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine (CID 115959894) is (5-bromoquinolin-8-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (5-bromoquinolin-8-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (5-bromoquinolin-8-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine is NC(c1noc(C2CC2)n1)c1ccc(Br)c2cccnc12.
What is the InChIKey of (5-bromoquinolin-8-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is NMRQYEZKCVTMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c16-11-6-5-10(13-9(11)2-1-7-18-13)12(17)14-19-15(21-20-14)8-3-4-8/h1-2,5-8,12H,3-4,17H2.
What are the key properties of (5-bromoquinolin-8-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine?
(5-bromoquinolin-8-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 345.20 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromoquinolin-8-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 115959894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).