4-[2-methyl-6-[(2-methylpropan-2-yl)oxy]quinolin-4-yl]butan-1-amine

C18H26N2O — CID 82577822

IUPAC4-[2-methyl-6-[(2-methylpropan-2-yl)oxy]quinolin-4-yl]butan-1-amine
SMILESCc1cc(CCCCN)c2cc(OC(C)(C)C)ccc2n1
InChIInChI=1S/C18H26N2O/c1-13-11-14(7-5-6-10-19)16-12-15(21-18(2,3)4)8-9-17(16)20-13/h8-9,11-12H,5-7,10,19H2,1-4H3
InChIKeyNQPKKJHULSAWMV-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.00
Rot. Bonds5

About 4-[2-methyl-6-[(2-methylpropan-2-yl)oxy]quinolin-4-yl]butan-1-amine

4-[2-methyl-6-[(2-methylpropan-2-yl)oxy]quinolin-4-yl]butan-1-amine (PubChem CID 82577822) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-[2-methyl-6-[(2-methylpropan-2-yl)oxy]quinolin-4-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-methyl-6-[(2-methylpropan-2-yl)oxy]quinolin-4-yl]butan-1-amine
PubChem CID82577822
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name4-[2-methyl-6-[(2-methylpropan-2-yl)oxy]quinolin-4-yl]butan-1-amine
SMILESCc1cc(CCCCN)c2cc(OC(C)(C)C)ccc2n1
InChIInChI=1S/C18H26N2O/c1-13-11-14(7-5-6-10-19)16-12-15(21-18(2,3)4)8-9-17(16)20-13/h8-9,11-12H,5-7,10,19H2,1-4H3
InChIKeyNQPKKJHULSAWMV-UHFFFAOYSA-N
XLogP4.00
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-methyl-6-[(2-methylpropan-2-yl)oxy]quinolin-4-yl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-6-[(2-methylpropan-2-yl)oxy]quinolin-4-yl]butan-1-amine?
The IUPAC name of 4-[2-methyl-6-[(2-methylpropan-2-yl)oxy]quinolin-4-yl]butan-1-amine (CID 82577822) is 4-[2-methyl-6-[(2-methylpropan-2-yl)oxy]quinolin-4-yl]butan-1-amine.
What is the SMILES notation for 4-[2-methyl-6-[(2-methylpropan-2-yl)oxy]quinolin-4-yl]butan-1-amine?
The canonical SMILES for 4-[2-methyl-6-[(2-methylpropan-2-yl)oxy]quinolin-4-yl]butan-1-amine is Cc1cc(CCCCN)c2cc(OC(C)(C)C)ccc2n1.
What is the InChIKey of 4-[2-methyl-6-[(2-methylpropan-2-yl)oxy]quinolin-4-yl]butan-1-amine?
The InChIKey is NQPKKJHULSAWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-11-14(7-5-6-10-19)16-12-15(21-18(2,3)4)8-9-17(16)20-13/h8-9,11-12H,5-7,10,19H2,1-4H3.
What are the key properties of 4-[2-methyl-6-[(2-methylpropan-2-yl)oxy]quinolin-4-yl]butan-1-amine?
4-[2-methyl-6-[(2-methylpropan-2-yl)oxy]quinolin-4-yl]butan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-6-[(2-methylpropan-2-yl)oxy]quinolin-4-yl]butan-1-amine is sourced from PubChem (CID 82577822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).