N-[(4-but-2-enoxyquinolin-2-yl)methyl]propan-2-amine

C17H22N2O — CID 76995835

IUPACN-[(4-but-2-enoxyquinolin-2-yl)methyl]propan-2-amine
SMILESCC=CCOc1cc(CNC(C)C)nc2ccccc12
InChIInChI=1S/C17H22N2O/c1-4-5-10-20-17-11-14(12-18-13(2)3)19-16-9-7-6-8-15(16)17/h4-9,11,13,18H,10,12H2,1-3H3
InChIKeyJZJMKGMJCGSXGU-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.69
Rot. Bonds6

About N-[(4-but-2-enoxyquinolin-2-yl)methyl]propan-2-amine

N-[(4-but-2-enoxyquinolin-2-yl)methyl]propan-2-amine (PubChem CID 76995835) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(4-but-2-enoxyquinolin-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-but-2-enoxyquinolin-2-yl)methyl]propan-2-amine
PubChem CID76995835
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(4-but-2-enoxyquinolin-2-yl)methyl]propan-2-amine
SMILESCC=CCOc1cc(CNC(C)C)nc2ccccc12
InChIInChI=1S/C17H22N2O/c1-4-5-10-20-17-11-14(12-18-13(2)3)19-16-9-7-6-8-15(16)17/h4-9,11,13,18H,10,12H2,1-3H3
InChIKeyJZJMKGMJCGSXGU-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-but-2-enoxyquinolin-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-but-2-enoxyquinolin-2-yl)methyl]propan-2-amine (CID 76995835) is N-[(4-but-2-enoxyquinolin-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-but-2-enoxyquinolin-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-but-2-enoxyquinolin-2-yl)methyl]propan-2-amine is CC=CCOc1cc(CNC(C)C)nc2ccccc12.
What is the InChIKey of N-[(4-but-2-enoxyquinolin-2-yl)methyl]propan-2-amine?
The InChIKey is JZJMKGMJCGSXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-5-10-20-17-11-14(12-18-13(2)3)19-16-9-7-6-8-15(16)17/h4-9,11,13,18H,10,12H2,1-3H3.
What are the key properties of N-[(4-but-2-enoxyquinolin-2-yl)methyl]propan-2-amine?
N-[(4-but-2-enoxyquinolin-2-yl)methyl]propan-2-amine has a molecular weight of 270.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-but-2-enoxyquinolin-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 76995835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).