N-[(4-chlorophenyl)methyl]-4-(5-chloroquinolin-8-yl)oxybutan-1-amine

C20H20Cl2N2O — CID 71517727

IUPACN-[(4-chlorophenyl)methyl]-4-(5-chloroquinolin-8-yl)oxybutan-1-amine
SMILESClc1ccc(CNCCCCOc2ccc(Cl)c3cccnc23)cc1
InChIInChI=1S/C20H20Cl2N2O/c21-16-7-5-15(6-8-16)14-23-11-1-2-13-25-19-10-9-18(22)17-4-3-12-24-20(17)19/h3-10,12,23H,1-2,11,13-14H2
InChIKeyRKSMKFLZRKEDJO-UHFFFAOYSA-N
MW375.30 g/mol
LogP5.49
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-4-(5-chloroquinolin-8-yl)oxybutan-1-amine

N-[(4-chlorophenyl)methyl]-4-(5-chloroquinolin-8-yl)oxybutan-1-amine (PubChem CID 71517727) has the molecular formula C20H20Cl2N2O and a molecular weight of 375.30 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(5-chloroquinolin-8-yl)oxybutan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(5-chloroquinolin-8-yl)oxybutan-1-amine
PubChem CID71517727
Molecular FormulaC20H20Cl2N2O
Molecular Weight375.30 g/mol
Exact Mass374.10
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(5-chloroquinolin-8-yl)oxybutan-1-amine
SMILESClc1ccc(CNCCCCOc2ccc(Cl)c3cccnc23)cc1
InChIInChI=1S/C20H20Cl2N2O/c21-16-7-5-15(6-8-16)14-23-11-1-2-13-25-19-10-9-18(22)17-4-3-12-24-20(17)19/h3-10,12,23H,1-2,11,13-14H2
InChIKeyRKSMKFLZRKEDJO-UHFFFAOYSA-N
XLogP5.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.30
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(5-chloroquinolin-8-yl)oxypentan-1-amine
CID 54965610
5-chloro-8-(6-chlorohexoxy)quinoline
CID 55193642
5-chloro-8-(5-chloropentoxy)quinoline
CID 43348411
N-benzyl-3-(4-chloronaphthalen-1-yl)oxypropan-1-amine
CID 2184430
N,N'-bis[(4-chlorophenyl)methyl]butane-1,4-diamine
CID 131985015
2-(5-chloroquinolin-8-yl)oxy-N,N-diethylethanamine
CID 146013303
N-[(4-chlorophenyl)methyl]-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide
CID 8716397
4-[4-[3-(5-chloroquinolin-8-yl)oxypropoxy]phenyl]butan-2-one
CID 2216411
CID 12945983
CID 12945983
4-[2-(5-chloroquinolin-8-yl)oxyethoxy]benzonitrile
CID 2216428
1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975973
N-(5-chloro-2-fluorophenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716254

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(5-chloroquinolin-8-yl)oxybutan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(5-chloroquinolin-8-yl)oxybutan-1-amine (CID 71517727) is N-[(4-chlorophenyl)methyl]-4-(5-chloroquinolin-8-yl)oxybutan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(5-chloroquinolin-8-yl)oxybutan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(5-chloroquinolin-8-yl)oxybutan-1-amine is Clc1ccc(CNCCCCOc2ccc(Cl)c3cccnc23)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(5-chloroquinolin-8-yl)oxybutan-1-amine?
The InChIKey is RKSMKFLZRKEDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O/c21-16-7-5-15(6-8-16)14-23-11-1-2-13-25-19-10-9-18(22)17-4-3-12-24-20(17)19/h3-10,12,23H,1-2,11,13-14H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(5-chloroquinolin-8-yl)oxybutan-1-amine?
N-[(4-chlorophenyl)methyl]-4-(5-chloroquinolin-8-yl)oxybutan-1-amine has a molecular weight of 375.30 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(5-chloroquinolin-8-yl)oxybutan-1-amine is sourced from PubChem (CID 71517727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).