N-[3-[4-(2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]cyclopropanamine

C22H23FN2O3 — CID 141291316

IUPACN-[3-[4-(2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]cyclopropanamine
SMILESCOc1cc2c(Oc3ccccc3F)ccnc2cc1OCCCNC1CC1
InChIInChI=1S/C22H23FN2O3/c1-26-21-13-16-18(14-22(21)27-12-4-10-24-15-7-8-15)25-11-9-19(16)28-20-6-3-2-5-17(20)23/h2-3,5-6,9,11,13-15,24H,4,7-8,10,12H2,1H3
InChIKeyZRVRESUAQAIKOB-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.70
Rot. Bonds9

About N-[3-[4-(2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]cyclopropanamine

N-[3-[4-(2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]cyclopropanamine (PubChem CID 141291316) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]cyclopropanamine
PubChem CID141291316
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC NameN-[3-[4-(2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]cyclopropanamine
SMILESCOc1cc2c(Oc3ccccc3F)ccnc2cc1OCCCNC1CC1
InChIInChI=1S/C22H23FN2O3/c1-26-21-13-16-18(14-22(21)27-12-4-10-24-15-7-8-15)25-11-9-19(16)28-20-6-3-2-5-17(20)23/h2-3,5-6,9,11,13-15,24H,4,7-8,10,12H2,1H3
InChIKeyZRVRESUAQAIKOB-UHFFFAOYSA-N
XLogP4.70
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluorophenoxy)-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline
CID 141291334
4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline
CID 141064108
azane;4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline
CID 67265211
2,3-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-N-methylaniline
CID 168943078
1-N'-[3-fluoro-4-[6-methoxy-7-[3-[(2-oxothiolan-3-yl)amino]propoxy]quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 155184758
2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline
CID 168943014
N-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide
CID 155184797
tert-butyl N-[3-[4-(4-amino-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]carbamate
CID 66611559
N-[4-fluoro-3-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 67074121
4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline
CID 67457884
2-fluoro-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]benzenesulfonamide
CID 52914085
N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine
CID 29015300

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]cyclopropanamine?
The IUPAC name of N-[3-[4-(2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]cyclopropanamine (CID 141291316) is N-[3-[4-(2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]cyclopropanamine.
What is the SMILES notation for N-[3-[4-(2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]cyclopropanamine?
The canonical SMILES for N-[3-[4-(2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]cyclopropanamine is COc1cc2c(Oc3ccccc3F)ccnc2cc1OCCCNC1CC1.
What is the InChIKey of N-[3-[4-(2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]cyclopropanamine?
The InChIKey is ZRVRESUAQAIKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-26-21-13-16-18(14-22(21)27-12-4-10-24-15-7-8-15)25-11-9-19(16)28-20-6-3-2-5-17(20)23/h2-3,5-6,9,11,13-15,24H,4,7-8,10,12H2,1H3.
What are the key properties of N-[3-[4-(2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]cyclopropanamine?
N-[3-[4-(2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]cyclopropanamine has a molecular weight of 382.44 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]cyclopropanamine is sourced from PubChem (CID 141291316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).