N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]cyclopropanamine

C20H21ClN2O2 — CID 51119637

IUPACN-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]cyclopropanamine
SMILESCOc1ccc2cc(CN(Cc3ccc(C)o3)C3CC3)c(Cl)nc2c1
InChIInChI=1S/C20H21ClN2O2/c1-13-3-7-18(25-13)12-23(16-5-6-16)11-15-9-14-4-8-17(24-2)10-19(14)22-20(15)21/h3-4,7-10,16H,5-6,11-12H2,1-2H3
InChIKeyGJNKFWVBKMXSOD-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.96
Rot. Bonds6

About N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]cyclopropanamine

N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]cyclopropanamine (PubChem CID 51119637) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]cyclopropanamine
PubChem CID51119637
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC NameN-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]cyclopropanamine
SMILESCOc1ccc2cc(CN(Cc3ccc(C)o3)C3CC3)c(Cl)nc2c1
InChIInChI=1S/C20H21ClN2O2/c1-13-3-7-18(25-13)12-23(16-5-6-16)11-15-9-14-4-8-17(24-2)10-19(14)22-20(15)21/h3-4,7-10,16H,5-6,11-12H2,1-2H3
InChIKeyGJNKFWVBKMXSOD-UHFFFAOYSA-N
XLogP4.96
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]cyclopropanamine (CID 51119637) is N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]cyclopropanamine is COc1ccc2cc(CN(Cc3ccc(C)o3)C3CC3)c(Cl)nc2c1.
What is the InChIKey of N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]cyclopropanamine?
The InChIKey is GJNKFWVBKMXSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-13-3-7-18(25-13)12-23(16-5-6-16)11-15-9-14-4-8-17(24-2)10-19(14)22-20(15)21/h3-4,7-10,16H,5-6,11-12H2,1-2H3.
What are the key properties of N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]cyclopropanamine?
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]cyclopropanamine has a molecular weight of 356.85 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 51119637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).