3-bromo-N-cyclopropyl-7-methylquinolin-2-amine

C13H13BrN2 — CID 126637335

IUPAC3-bromo-N-cyclopropyl-7-methylquinolin-2-amine
SMILESCc1ccc2cc(Br)c(NC3CC3)nc2c1
InChIInChI=1S/C13H13BrN2/c1-8-2-3-9-7-11(14)13(15-10-4-5-10)16-12(9)6-8/h2-3,6-7,10H,4-5H2,1H3,(H,15,16)
InChIKeyVFTGDVOVEDAXJY-UHFFFAOYSA-N
MW277.16 g/mol
LogP3.88
Rot. Bonds2

About 3-bromo-N-cyclopropyl-7-methylquinolin-2-amine

3-bromo-N-cyclopropyl-7-methylquinolin-2-amine (PubChem CID 126637335) has the molecular formula C13H13BrN2 and a molecular weight of 277.16 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-7-methylquinolin-2-amine.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-7-methylquinolin-2-amine
PubChem CID126637335
Molecular FormulaC13H13BrN2
Molecular Weight277.16 g/mol
Exact Mass276.03
IUPAC Name3-bromo-N-cyclopropyl-7-methylquinolin-2-amine
SMILESCc1ccc2cc(Br)c(NC3CC3)nc2c1
InChIInChI=1S/C13H13BrN2/c1-8-2-3-9-7-11(14)13(15-10-4-5-10)16-12(9)6-8/h2-3,6-7,10H,4-5H2,1H3,(H,15,16)
InChIKeyVFTGDVOVEDAXJY-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-7-methylquinolin-2-amine?
The IUPAC name of 3-bromo-N-cyclopropyl-7-methylquinolin-2-amine (CID 126637335) is 3-bromo-N-cyclopropyl-7-methylquinolin-2-amine.
What is the SMILES notation for 3-bromo-N-cyclopropyl-7-methylquinolin-2-amine?
The canonical SMILES for 3-bromo-N-cyclopropyl-7-methylquinolin-2-amine is Cc1ccc2cc(Br)c(NC3CC3)nc2c1.
What is the InChIKey of 3-bromo-N-cyclopropyl-7-methylquinolin-2-amine?
The InChIKey is VFTGDVOVEDAXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c1-8-2-3-9-7-11(14)13(15-10-4-5-10)16-12(9)6-8/h2-3,6-7,10H,4-5H2,1H3,(H,15,16).
What are the key properties of 3-bromo-N-cyclopropyl-7-methylquinolin-2-amine?
3-bromo-N-cyclopropyl-7-methylquinolin-2-amine has a molecular weight of 277.16 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-7-methylquinolin-2-amine is sourced from PubChem (CID 126637335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).