N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide

C26H23FN2O5 — CID 45499103

IUPACN-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)cc(OC)c3c2)cc(OC)c1OC
InChIInChI=1S/C26H23FN2O5/c1-31-22-14-21(15-5-7-17(27)8-6-15)29-20-10-9-18(13-19(20)22)28-26(30)16-11-23(32-2)25(34-4)24(12-16)33-3/h5-14H,1-4H3,(H,28,30)
InChIKeyJQRLWFBCZCZKPB-UHFFFAOYSA-N
MW462.48 g/mol
LogP5.33
Rot. Bonds7

About N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide

N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide (PubChem CID 45499103) has the molecular formula C26H23FN2O5 and a molecular weight of 462.48 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide
PubChem CID45499103
Molecular FormulaC26H23FN2O5
Molecular Weight462.48 g/mol
Exact Mass462.16
IUPAC NameN-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)cc(OC)c3c2)cc(OC)c1OC
InChIInChI=1S/C26H23FN2O5/c1-31-22-14-21(15-5-7-17(27)8-6-15)29-20-10-9-18(13-19(20)22)28-26(30)16-11-23(32-2)25(34-4)24(12-16)33-3/h5-14H,1-4H3,(H,28,30)
InChIKeyJQRLWFBCZCZKPB-UHFFFAOYSA-N
XLogP5.33
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.48
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide
CID 53113478
1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827540
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]benzamide
CID 53001311
N-[4-methoxy-2-(4-methoxyphenyl)quinolin-6-yl]benzamide
CID 53113445
N-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide
CID 53113500
methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate
CID 53113586
1-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3-(3-methylphenyl)urea
CID 50827617
N-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide
CID 56690013
N-[4-[[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]sulfamoyl]phenyl]acetamide
CID 50836629
4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide
CID 46319060
1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827606
methyl 2-[6-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827642

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide (CID 45499103) is N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)cc(OC)c3c2)cc(OC)c1OC.
What is the InChIKey of N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is JQRLWFBCZCZKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O5/c1-31-22-14-21(15-5-7-17(27)8-6-15)29-20-10-9-18(13-19(20)22)28-26(30)16-11-23(32-2)25(34-4)24(12-16)33-3/h5-14H,1-4H3,(H,28,30).
What are the key properties of N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide?
N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 462.48 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 45499103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).