5-bromo-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridin-3-amine

C15H16BrN3 — CID 103517508

IUPAC5-bromo-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridin-3-amine
SMILESCC1CCc2ccccc2N1c1c(N)cncc1Br
InChIInChI=1S/C15H16BrN3/c1-10-6-7-11-4-2-3-5-14(11)19(10)15-12(16)8-18-9-13(15)17/h2-5,8-10H,6-7,17H2,1H3
InChIKeyMRAABXBELVXJAF-UHFFFAOYSA-N
MW318.22 g/mol
LogP3.90
Rot. Bonds1

About 5-bromo-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridin-3-amine

5-bromo-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridin-3-amine (PubChem CID 103517508) has the molecular formula C15H16BrN3 and a molecular weight of 318.22 g/mol. Its IUPAC name is 5-bromo-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridin-3-amine
PubChem CID103517508
Molecular FormulaC15H16BrN3
Molecular Weight318.22 g/mol
Exact Mass317.05
IUPAC Name5-bromo-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridin-3-amine
SMILESCC1CCc2ccccc2N1c1c(N)cncc1Br
InChIInChI=1S/C15H16BrN3/c1-10-6-7-11-4-2-3-5-14(11)19(10)15-12(16)8-18-9-13(15)17/h2-5,8-10H,6-7,17H2,1H3
InChIKeyMRAABXBELVXJAF-UHFFFAOYSA-N
XLogP3.90
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridin-3-amine (CID 103517508) is 5-bromo-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridin-3-amine is CC1CCc2ccccc2N1c1c(N)cncc1Br.
What is the InChIKey of 5-bromo-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridin-3-amine?
The InChIKey is MRAABXBELVXJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3/c1-10-6-7-11-4-2-3-5-14(11)19(10)15-12(16)8-18-9-13(15)17/h2-5,8-10H,6-7,17H2,1H3.
What are the key properties of 5-bromo-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridin-3-amine?
5-bromo-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridin-3-amine has a molecular weight of 318.22 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridin-3-amine is sourced from PubChem (CID 103517508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).