7-(3-chloropropoxy)-6-methoxy-4-(2-methylquinolin-3-yl)oxyquinoline

C23H21ClN2O3 — CID 23078503

IUPAC7-(3-chloropropoxy)-6-methoxy-4-(2-methylquinolin-3-yl)oxyquinoline
SMILESCOc1cc2c(Oc3cc4ccccc4nc3C)ccnc2cc1OCCCCl
InChIInChI=1S/C23H21ClN2O3/c1-15-21(12-16-6-3-4-7-18(16)26-15)29-20-8-10-25-19-14-23(28-11-5-9-24)22(27-2)13-17(19)20/h3-4,6-8,10,12-14H,5,9,11H2,1-2H3
InChIKeyJSVKZXSCLCCAFS-UHFFFAOYSA-N
MW408.89 g/mol
LogP5.90
Rot. Bonds7

About 7-(3-chloropropoxy)-6-methoxy-4-(2-methylquinolin-3-yl)oxyquinoline

7-(3-chloropropoxy)-6-methoxy-4-(2-methylquinolin-3-yl)oxyquinoline (PubChem CID 23078503) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is 7-(3-chloropropoxy)-6-methoxy-4-(2-methylquinolin-3-yl)oxyquinoline.

Molecular Properties

Compound Name7-(3-chloropropoxy)-6-methoxy-4-(2-methylquinolin-3-yl)oxyquinoline
PubChem CID23078503
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC Name7-(3-chloropropoxy)-6-methoxy-4-(2-methylquinolin-3-yl)oxyquinoline
SMILESCOc1cc2c(Oc3cc4ccccc4nc3C)ccnc2cc1OCCCCl
InChIInChI=1S/C23H21ClN2O3/c1-15-21(12-16-6-3-4-7-18(16)26-15)29-20-8-10-25-19-14-23(28-11-5-9-24)22(27-2)13-17(19)20/h3-4,6-8,10,12-14H,5,9,11H2,1-2H3
InChIKeyJSVKZXSCLCCAFS-UHFFFAOYSA-N
XLogP5.90
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.89
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-4-(2-methylquinolin-3-yl)oxy-7-phenylmethoxyquinoline
CID 23078517
3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,6-naphthyridine
CID 23078530
3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,7-naphthyridine
CID 23156614
6,7-dimethoxy-4-quinolin-3-yloxyquinoline
CID 23078609
3-[6-methoxy-4-[(2-methyl-1,8-naphthyridin-3-yl)oxy]quinolin-7-yl]oxypropane-1,2-diol
CID 23078505
[2-[7-(3-chloropropoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone
CID 87592843
methane;4,6,7-trimethoxyquinoline
CID 157066291
3-(6-methoxyquinolin-7-yl)oxy-N,N-dimethylpropan-1-amine
CID 76540190
7-butoxy-6-methoxyquinoline
CID 161197918
4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline
CID 141064108
4-(2-fluorophenoxy)-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline
CID 141291334
N-[3-[4-(2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]cyclopropanamine
CID 141291316

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloropropoxy)-6-methoxy-4-(2-methylquinolin-3-yl)oxyquinoline?
The IUPAC name of 7-(3-chloropropoxy)-6-methoxy-4-(2-methylquinolin-3-yl)oxyquinoline (CID 23078503) is 7-(3-chloropropoxy)-6-methoxy-4-(2-methylquinolin-3-yl)oxyquinoline.
What is the SMILES notation for 7-(3-chloropropoxy)-6-methoxy-4-(2-methylquinolin-3-yl)oxyquinoline?
The canonical SMILES for 7-(3-chloropropoxy)-6-methoxy-4-(2-methylquinolin-3-yl)oxyquinoline is COc1cc2c(Oc3cc4ccccc4nc3C)ccnc2cc1OCCCCl.
What is the InChIKey of 7-(3-chloropropoxy)-6-methoxy-4-(2-methylquinolin-3-yl)oxyquinoline?
The InChIKey is JSVKZXSCLCCAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-15-21(12-16-6-3-4-7-18(16)26-15)29-20-8-10-25-19-14-23(28-11-5-9-24)22(27-2)13-17(19)20/h3-4,6-8,10,12-14H,5,9,11H2,1-2H3.
What are the key properties of 7-(3-chloropropoxy)-6-methoxy-4-(2-methylquinolin-3-yl)oxyquinoline?
7-(3-chloropropoxy)-6-methoxy-4-(2-methylquinolin-3-yl)oxyquinoline has a molecular weight of 408.89 g/mol, XLogP of 5.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloropropoxy)-6-methoxy-4-(2-methylquinolin-3-yl)oxyquinoline is sourced from PubChem (CID 23078503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).