N-[(5-iodofuran-2-yl)methyl]-2-quinolin-8-ylethanamine

C16H15IN2O — CID 81426993

IUPACN-[(5-iodofuran-2-yl)methyl]-2-quinolin-8-ylethanamine
SMILESIc1ccc(CNCCc2cccc3cccnc23)o1
InChIInChI=1S/C16H15IN2O/c17-15-7-6-14(20-15)11-18-10-8-13-4-1-3-12-5-2-9-19-16(12)13/h1-7,9,18H,8,10-11H2
InChIKeyMMPQWWAHIAGAMY-UHFFFAOYSA-N
MW378.21 g/mol
LogP3.76
Rot. Bonds5

About N-[(5-iodofuran-2-yl)methyl]-2-quinolin-8-ylethanamine

N-[(5-iodofuran-2-yl)methyl]-2-quinolin-8-ylethanamine (PubChem CID 81426993) has the molecular formula C16H15IN2O and a molecular weight of 378.21 g/mol. Its IUPAC name is N-[(5-iodofuran-2-yl)methyl]-2-quinolin-8-ylethanamine.

Molecular Properties

Compound NameN-[(5-iodofuran-2-yl)methyl]-2-quinolin-8-ylethanamine
PubChem CID81426993
Molecular FormulaC16H15IN2O
Molecular Weight378.21 g/mol
Exact Mass378.02
IUPAC NameN-[(5-iodofuran-2-yl)methyl]-2-quinolin-8-ylethanamine
SMILESIc1ccc(CNCCc2cccc3cccnc23)o1
InChIInChI=1S/C16H15IN2O/c17-15-7-6-14(20-15)11-18-10-8-13-4-1-3-12-5-2-9-19-16(12)13/h1-7,9,18H,8,10-11H2
InChIKeyMMPQWWAHIAGAMY-UHFFFAOYSA-N
XLogP3.76
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-quinolin-8-ylethylamino)methyl]phenol
CID 78916472
N-[(5-iodofuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79763223
2-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 112727575
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81428422
N-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine
CID 81428081
N-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine
CID 78870691
1-(2-quinolin-8-ylethylamino)propan-2-ol
CID 81428765
3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine
CID 81426941
N-[(4-morpholin-4-ylphenyl)methyl]-2-quinolin-8-ylethanamine
CID 51086137
N-[(6-methoxy-3-pyridinyl)methyl]-2-quinolin-8-ylethanamine
CID 167841665
N-(1,3-dioxan-4-ylmethyl)-2-quinolin-8-ylethanamine
CID 81427887

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodofuran-2-yl)methyl]-2-quinolin-8-ylethanamine?
The IUPAC name of N-[(5-iodofuran-2-yl)methyl]-2-quinolin-8-ylethanamine (CID 81426993) is N-[(5-iodofuran-2-yl)methyl]-2-quinolin-8-ylethanamine.
What is the SMILES notation for N-[(5-iodofuran-2-yl)methyl]-2-quinolin-8-ylethanamine?
The canonical SMILES for N-[(5-iodofuran-2-yl)methyl]-2-quinolin-8-ylethanamine is Ic1ccc(CNCCc2cccc3cccnc23)o1.
What is the InChIKey of N-[(5-iodofuran-2-yl)methyl]-2-quinolin-8-ylethanamine?
The InChIKey is MMPQWWAHIAGAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O/c17-15-7-6-14(20-15)11-18-10-8-13-4-1-3-12-5-2-9-19-16(12)13/h1-7,9,18H,8,10-11H2.
What are the key properties of N-[(5-iodofuran-2-yl)methyl]-2-quinolin-8-ylethanamine?
N-[(5-iodofuran-2-yl)methyl]-2-quinolin-8-ylethanamine has a molecular weight of 378.21 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodofuran-2-yl)methyl]-2-quinolin-8-ylethanamine is sourced from PubChem (CID 81426993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).