1-[[4-(3-chlorophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]-N,N-dimethylcyclopropan-1-amine

C22H23ClN2O3 — CID 141206388

IUPAC1-[[4-(3-chlorophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]-N,N-dimethylcyclopropan-1-amine
SMILESCOc1cc2c(Oc3cccc(Cl)c3)ccnc2cc1OCC1(N(C)C)CC1
InChIInChI=1S/C22H23ClN2O3/c1-25(2)22(8-9-22)14-27-21-13-18-17(12-20(21)26-3)19(7-10-24-18)28-16-6-4-5-15(23)11-16/h4-7,10-13H,8-9,14H2,1-3H3
InChIKeyDBSPKKIFVXYQML-UHFFFAOYSA-N
MW398.89 g/mol
LogP5.16
Rot. Bonds7

About 1-[[4-(3-chlorophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]-N,N-dimethylcyclopropan-1-amine

1-[[4-(3-chlorophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]-N,N-dimethylcyclopropan-1-amine (PubChem CID 141206388) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is 1-[[4-(3-chlorophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]-N,N-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[[4-(3-chlorophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]-N,N-dimethylcyclopropan-1-amine
PubChem CID141206388
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name1-[[4-(3-chlorophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]-N,N-dimethylcyclopropan-1-amine
SMILESCOc1cc2c(Oc3cccc(Cl)c3)ccnc2cc1OCC1(N(C)C)CC1
InChIInChI=1S/C22H23ClN2O3/c1-25(2)22(8-9-22)14-27-21-13-18-17(12-20(21)26-3)19(7-10-24-18)28-16-6-4-5-15(23)11-16/h4-7,10-13H,8-9,14H2,1-3H3
InChIKeyDBSPKKIFVXYQML-UHFFFAOYSA-N
XLogP5.16
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.89
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[4-(3-chlorophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]-N,N-dimethylcyclopropan-1-amine with MolForge

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Related Compounds

6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
CID 25031916
2-cyclopropyl-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone
CID 157248452
4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
CID 141404312
methane;4,6,7-trimethoxyquinoline
CID 157066291
1-(3-chlorophenyl)-5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pentane-2,4-dione
CID 58249375
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074
2-(3-chlorophenyl)-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]acetamide
CID 59791998
2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane
CID 142885243
N-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 54359484
N-(3-bromopropyl)-3-(6,7-dimethoxyquinolin-4-yl)oxyaniline
CID 126738314
4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline
CID 89257165
7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxy-N-(2-methyl-1H-indol-5-yl)quinolin-4-amine
CID 25016622

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-chlorophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]-N,N-dimethylcyclopropan-1-amine?
The IUPAC name of 1-[[4-(3-chlorophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]-N,N-dimethylcyclopropan-1-amine (CID 141206388) is 1-[[4-(3-chlorophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]-N,N-dimethylcyclopropan-1-amine.
What is the SMILES notation for 1-[[4-(3-chlorophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]-N,N-dimethylcyclopropan-1-amine?
The canonical SMILES for 1-[[4-(3-chlorophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]-N,N-dimethylcyclopropan-1-amine is COc1cc2c(Oc3cccc(Cl)c3)ccnc2cc1OCC1(N(C)C)CC1.
What is the InChIKey of 1-[[4-(3-chlorophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]-N,N-dimethylcyclopropan-1-amine?
The InChIKey is DBSPKKIFVXYQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-25(2)22(8-9-22)14-27-21-13-18-17(12-20(21)26-3)19(7-10-24-18)28-16-6-4-5-15(23)11-16/h4-7,10-13H,8-9,14H2,1-3H3.
What are the key properties of 1-[[4-(3-chlorophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]-N,N-dimethylcyclopropan-1-amine?
1-[[4-(3-chlorophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]-N,N-dimethylcyclopropan-1-amine has a molecular weight of 398.89 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-chlorophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]-N,N-dimethylcyclopropan-1-amine is sourced from PubChem (CID 141206388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).