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

C14H10ClIN2O — CID 43788302

IUPAC8-chloro-N-[(5-iodofuran-2-yl)methyl]quinolin-5-amine
SMILESClc1ccc(NCc2ccc(I)o2)c2cccnc12
InChIInChI=1S/C14H10ClIN2O/c15-11-4-5-12(10-2-1-7-17-14(10)11)18-8-9-3-6-13(16)19-9/h1-7,18H,8H2
InChIKeyNEKOUMHGTAYQBV-UHFFFAOYSA-N
MW384.60 g/mol
LogP4.70
Rot. Bonds3

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

8-chloro-N-[(5-iodofuran-2-yl)methyl]quinolin-5-amine (PubChem CID 43788302) has the molecular formula C14H10ClIN2O and a molecular weight of 384.60 g/mol. Its IUPAC name is 8-chloro-N-[(5-iodofuran-2-yl)methyl]quinolin-5-amine.

Molecular Properties

Compound Name8-chloro-N-[(5-iodofuran-2-yl)methyl]quinolin-5-amine
PubChem CID43788302
Molecular FormulaC14H10ClIN2O
Molecular Weight384.60 g/mol
Exact Mass383.95
IUPAC Name8-chloro-N-[(5-iodofuran-2-yl)methyl]quinolin-5-amine
SMILESClc1ccc(NCc2ccc(I)o2)c2cccnc12
InChIInChI=1S/C14H10ClIN2O/c15-11-4-5-12(10-2-1-7-17-14(10)11)18-8-9-3-6-13(16)19-9/h1-7,18H,8H2
InChIKeyNEKOUMHGTAYQBV-UHFFFAOYSA-N
XLogP4.70
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.60
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromophenyl)methyl]-8-chloroquinolin-5-amine
CID 43731668
8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine
CID 63445925
8-chloro-N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61323719
3-[[(8-chloroquinolin-5-yl)amino]methyl]phenol
CID 43731727
8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine
CID 62763903
2-[[(8-chloroquinolin-5-yl)amino]methyl]benzonitrile
CID 107935902
8-chloro-N-heptylquinolin-5-amine
CID 43731731
2-chloro-N-[(5-iodofuran-2-yl)methyl]-4-methylaniline
CID 43772647
8-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)quinolin-5-amine
CID 62066925
8-chloro-N-[(3-ethylimidazol-4-yl)methyl]quinolin-5-amine
CID 66132568
N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine
CID 43731505
N-[(5-iodofuran-2-yl)methyl]-2-quinolin-8-ylethanamine
CID 81426993

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(5-iodofuran-2-yl)methyl]quinolin-5-amine?
The IUPAC name of 8-chloro-N-[(5-iodofuran-2-yl)methyl]quinolin-5-amine (CID 43788302) is 8-chloro-N-[(5-iodofuran-2-yl)methyl]quinolin-5-amine.
What is the SMILES notation for 8-chloro-N-[(5-iodofuran-2-yl)methyl]quinolin-5-amine?
The canonical SMILES for 8-chloro-N-[(5-iodofuran-2-yl)methyl]quinolin-5-amine is Clc1ccc(NCc2ccc(I)o2)c2cccnc12.
What is the InChIKey of 8-chloro-N-[(5-iodofuran-2-yl)methyl]quinolin-5-amine?
The InChIKey is NEKOUMHGTAYQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClIN2O/c15-11-4-5-12(10-2-1-7-17-14(10)11)18-8-9-3-6-13(16)19-9/h1-7,18H,8H2.
What are the key properties of 8-chloro-N-[(5-iodofuran-2-yl)methyl]quinolin-5-amine?
8-chloro-N-[(5-iodofuran-2-yl)methyl]quinolin-5-amine has a molecular weight of 384.60 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(5-iodofuran-2-yl)methyl]quinolin-5-amine is sourced from PubChem (CID 43788302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).