3-methyl-1-(6-pyridin-4-ylquinolin-2-yl)butan-1-amine

C19H21N3 — CID 118279642

IUPAC3-methyl-1-(6-pyridin-4-ylquinolin-2-yl)butan-1-amine
SMILESCC(C)CC(N)c1ccc2cc(-c3ccncc3)ccc2n1
InChIInChI=1S/C19H21N3/c1-13(2)11-17(20)19-6-4-16-12-15(3-5-18(16)22-19)14-7-9-21-10-8-14/h3-10,12-13,17H,11,20H2,1-2H3
InChIKeyWSJHMBHAYHUAIZ-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.34
Rot. Bonds4

About 3-methyl-1-(6-pyridin-4-ylquinolin-2-yl)butan-1-amine

3-methyl-1-(6-pyridin-4-ylquinolin-2-yl)butan-1-amine (PubChem CID 118279642) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-methyl-1-(6-pyridin-4-ylquinolin-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(6-pyridin-4-ylquinolin-2-yl)butan-1-amine
PubChem CID118279642
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name3-methyl-1-(6-pyridin-4-ylquinolin-2-yl)butan-1-amine
SMILESCC(C)CC(N)c1ccc2cc(-c3ccncc3)ccc2n1
InChIInChI=1S/C19H21N3/c1-13(2)11-17(20)19-6-4-16-12-15(3-5-18(16)22-19)14-7-9-21-10-8-14/h3-10,12-13,17H,11,20H2,1-2H3
InChIKeyWSJHMBHAYHUAIZ-UHFFFAOYSA-N
XLogP4.34
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-pyridin-4-ylquinolin-2-yl)butan-1-amine?
The IUPAC name of 3-methyl-1-(6-pyridin-4-ylquinolin-2-yl)butan-1-amine (CID 118279642) is 3-methyl-1-(6-pyridin-4-ylquinolin-2-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-1-(6-pyridin-4-ylquinolin-2-yl)butan-1-amine?
The canonical SMILES for 3-methyl-1-(6-pyridin-4-ylquinolin-2-yl)butan-1-amine is CC(C)CC(N)c1ccc2cc(-c3ccncc3)ccc2n1.
What is the InChIKey of 3-methyl-1-(6-pyridin-4-ylquinolin-2-yl)butan-1-amine?
The InChIKey is WSJHMBHAYHUAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-13(2)11-17(20)19-6-4-16-12-15(3-5-18(16)22-19)14-7-9-21-10-8-14/h3-10,12-13,17H,11,20H2,1-2H3.
What are the key properties of 3-methyl-1-(6-pyridin-4-ylquinolin-2-yl)butan-1-amine?
3-methyl-1-(6-pyridin-4-ylquinolin-2-yl)butan-1-amine has a molecular weight of 291.40 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-pyridin-4-ylquinolin-2-yl)butan-1-amine is sourced from PubChem (CID 118279642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).