1-(5-bromoquinolin-8-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine

C15H15BrN4 — CID 86783264

IUPAC1-(5-bromoquinolin-8-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
SMILESCn1nccc1CNCc1ccc(Br)c2cccnc12
InChIInChI=1S/C15H15BrN4/c1-20-12(6-8-19-20)10-17-9-11-4-5-14(16)13-3-2-7-18-15(11)13/h2-8,17H,9-10H2,1H3
InChIKeyOORQRYMMXCAUMM-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.02
Rot. Bonds4

About 1-(5-bromoquinolin-8-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine

1-(5-bromoquinolin-8-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine (PubChem CID 86783264) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 1-(5-bromoquinolin-8-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromoquinolin-8-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
PubChem CID86783264
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name1-(5-bromoquinolin-8-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
SMILESCn1nccc1CNCc1ccc(Br)c2cccnc12
InChIInChI=1S/C15H15BrN4/c1-20-12(6-8-19-20)10-17-9-11-4-5-14(16)13-3-2-7-18-15(11)13/h2-8,17H,9-10H2,1H3
InChIKeyOORQRYMMXCAUMM-UHFFFAOYSA-N
XLogP3.02
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromoquinolin-8-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(5-bromoquinolin-8-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine (CID 86783264) is 1-(5-bromoquinolin-8-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromoquinolin-8-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5-bromoquinolin-8-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine is Cn1nccc1CNCc1ccc(Br)c2cccnc12.
What is the InChIKey of 1-(5-bromoquinolin-8-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The InChIKey is OORQRYMMXCAUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-20-12(6-8-19-20)10-17-9-11-4-5-14(16)13-3-2-7-18-15(11)13/h2-8,17H,9-10H2,1H3.
What are the key properties of 1-(5-bromoquinolin-8-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
1-(5-bromoquinolin-8-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine has a molecular weight of 331.22 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromoquinolin-8-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 86783264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).