3-fluoro-4-[6-methoxy-7-[3-(2-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxybenzamide

C26H30FN3O4 — CID 67959112

IUPAC3-fluoro-4-[6-methoxy-7-[3-(2-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxybenzamide
SMILESCOc1cc2c(Oc3ccc(C(N)=O)cc3F)ccnc2cc1OCCCN1CCCCC1C
InChIInChI=1S/C26H30FN3O4/c1-17-6-3-4-11-30(17)12-5-13-33-25-16-21-19(15-24(25)32-2)22(9-10-29-21)34-23-8-7-18(26(28)31)14-20(23)27/h7-10,14-17H,3-6,11-13H2,1-2H3,(H2,28,31)
InChIKeyKJNHFDZHKWDWLY-UHFFFAOYSA-N
MW467.54 g/mol
LogP4.92
Rot. Bonds9

About 3-fluoro-4-[6-methoxy-7-[3-(2-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxybenzamide

3-fluoro-4-[6-methoxy-7-[3-(2-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxybenzamide (PubChem CID 67959112) has the molecular formula C26H30FN3O4 and a molecular weight of 467.54 g/mol. Its IUPAC name is 3-fluoro-4-[6-methoxy-7-[3-(2-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxybenzamide.

Molecular Properties

Compound Name3-fluoro-4-[6-methoxy-7-[3-(2-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxybenzamide
PubChem CID67959112
Molecular FormulaC26H30FN3O4
Molecular Weight467.54 g/mol
Exact Mass467.22
IUPAC Name3-fluoro-4-[6-methoxy-7-[3-(2-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxybenzamide
SMILESCOc1cc2c(Oc3ccc(C(N)=O)cc3F)ccnc2cc1OCCCN1CCCCC1C
InChIInChI=1S/C26H30FN3O4/c1-17-6-3-4-11-30(17)12-5-13-33-25-16-21-19(15-24(25)32-2)22(9-10-29-21)34-23-8-7-18(26(28)31)14-20(23)27/h7-10,14-17H,3-6,11-13H2,1-2H3,(H2,28,31)
InChIKeyKJNHFDZHKWDWLY-UHFFFAOYSA-N
XLogP4.92
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]methylideneamino]urea
CID 154290494
1-amino-3-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]thiourea
CID 118468080
4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline
CID 141064108
N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]formamide
CID 130443825
N-[3-fluoro-4-[6-methoxy-7-[3-(3-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]cyclopropanesulfinamide
CID 129310808
(1R)-2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 175762678
4-(2-fluorophenoxy)-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline
CID 141291334
tert-butyl N-[3-[4-(4-amino-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]carbamate
CID 66611559
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]acetamide
CID 90646814
2-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-N-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]acetamide
CID 90646920
N-[3-fluoro-4-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-phenyltriazole-4-carboxamide
CID 127051406
(E)-N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-methoxyphenyl)sulfonylprop-2-enamide
CID 134143222

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[6-methoxy-7-[3-(2-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxybenzamide?
The IUPAC name of 3-fluoro-4-[6-methoxy-7-[3-(2-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxybenzamide (CID 67959112) is 3-fluoro-4-[6-methoxy-7-[3-(2-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxybenzamide.
What is the SMILES notation for 3-fluoro-4-[6-methoxy-7-[3-(2-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxybenzamide?
The canonical SMILES for 3-fluoro-4-[6-methoxy-7-[3-(2-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxybenzamide is COc1cc2c(Oc3ccc(C(N)=O)cc3F)ccnc2cc1OCCCN1CCCCC1C.
What is the InChIKey of 3-fluoro-4-[6-methoxy-7-[3-(2-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxybenzamide?
The InChIKey is KJNHFDZHKWDWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O4/c1-17-6-3-4-11-30(17)12-5-13-33-25-16-21-19(15-24(25)32-2)22(9-10-29-21)34-23-8-7-18(26(28)31)14-20(23)27/h7-10,14-17H,3-6,11-13H2,1-2H3,(H2,28,31).
What are the key properties of 3-fluoro-4-[6-methoxy-7-[3-(2-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxybenzamide?
3-fluoro-4-[6-methoxy-7-[3-(2-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxybenzamide has a molecular weight of 467.54 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[6-methoxy-7-[3-(2-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxybenzamide is sourced from PubChem (CID 67959112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).