4-(2-fluorophenoxy)-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline

C24H28FN3O3 — CID 141291334

IUPAC4-(2-fluorophenoxy)-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline
SMILESCOc1cc2nccc(Oc3ccccc3F)c2cc1OCCCN1CCN(C)CC1
InChIInChI=1S/C24H28FN3O3/c1-27-11-13-28(14-12-27)10-5-15-30-24-16-18-20(17-23(24)29-2)26-9-8-21(18)31-22-7-4-3-6-19(22)25/h3-4,6-9,16-17H,5,10-15H2,1-2H3
InChIKeyVCSVBJZWTSHPGV-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.19
Rot. Bonds8

About 4-(2-fluorophenoxy)-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline

4-(2-fluorophenoxy)-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline (PubChem CID 141291334) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline
PubChem CID141291334
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name4-(2-fluorophenoxy)-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline
SMILESCOc1cc2nccc(Oc3ccccc3F)c2cc1OCCCN1CCN(C)CC1
InChIInChI=1S/C24H28FN3O3/c1-27-11-13-28(14-12-27)10-5-15-30-24-16-18-20(17-23(24)29-2)26-9-8-21(18)31-22-7-4-3-6-19(22)25/h3-4,6-9,16-17H,5,10-15H2,1-2H3
InChIKeyVCSVBJZWTSHPGV-UHFFFAOYSA-N
XLogP4.19
TPSA47.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline
CID 141064108
2,6-difluoro-N-[3-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]benzenesulfonamide
CID 67073859
1-[(E)-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]methylideneamino]-3-phenylthiourea
CID 71678871
N-[3-[4-(2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]cyclopropanamine
CID 141291316
2-fluoro-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]benzenesulfonamide
CID 52914085
N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]formamide
CID 130443825
3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyaniline;2-methyl-1H-imidazole-5-sulfonic acid
CID 172847385
azane;4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline
CID 67265211
4-[3-[4-(3-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]morpholine
CID 141064103
2-hydroxy-N-[3-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]benzenesulfonamide
CID 70938682
1-(4-chlorophenyl)-1-[[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]methylideneamino]thiourea
CID 154132809
4-chloro-N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxoquinoline-3-carboxamide
CID 127029809

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline?
The IUPAC name of 4-(2-fluorophenoxy)-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline (CID 141291334) is 4-(2-fluorophenoxy)-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline.
What is the SMILES notation for 4-(2-fluorophenoxy)-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline?
The canonical SMILES for 4-(2-fluorophenoxy)-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline is COc1cc2nccc(Oc3ccccc3F)c2cc1OCCCN1CCN(C)CC1.
What is the InChIKey of 4-(2-fluorophenoxy)-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline?
The InChIKey is VCSVBJZWTSHPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-27-11-13-28(14-12-27)10-5-15-30-24-16-18-20(17-23(24)29-2)26-9-8-21(18)31-22-7-4-3-6-19(22)25/h3-4,6-9,16-17H,5,10-15H2,1-2H3.
What are the key properties of 4-(2-fluorophenoxy)-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline?
4-(2-fluorophenoxy)-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline has a molecular weight of 425.50 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline is sourced from PubChem (CID 141291334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).