N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalen-2-yl]-4-methoxythiophene-3-carboxamide

C27H21FN2O5S — CID 11306678

IUPACN-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalen-2-yl]-4-methoxythiophene-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4cc(NC(=O)c5cscc5OC)ccc4c3F)c2cc1OC
InChIInChI=1S/C27H21FN2O5S/c1-32-23-11-18-20(12-24(23)33-2)29-9-8-21(18)35-22-7-4-15-10-16(5-6-17(15)26(22)28)30-27(31)19-13-36-14-25(19)34-3/h4-14H,1-3H3,(H,30,31)
InChIKeyGDPCBVRKHHMQBJ-UHFFFAOYSA-N
MW504.54 g/mol
LogP6.66
Rot. Bonds7

About N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalen-2-yl]-4-methoxythiophene-3-carboxamide

N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalen-2-yl]-4-methoxythiophene-3-carboxamide (PubChem CID 11306678) has the molecular formula C27H21FN2O5S and a molecular weight of 504.54 g/mol. Its IUPAC name is N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalen-2-yl]-4-methoxythiophene-3-carboxamide.

Molecular Properties

Compound NameN-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalen-2-yl]-4-methoxythiophene-3-carboxamide
PubChem CID11306678
Molecular FormulaC27H21FN2O5S
Molecular Weight504.54 g/mol
Exact Mass504.12
IUPAC NameN-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalen-2-yl]-4-methoxythiophene-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4cc(NC(=O)c5cscc5OC)ccc4c3F)c2cc1OC
InChIInChI=1S/C27H21FN2O5S/c1-32-23-11-18-20(12-24(23)33-2)29-9-8-21(18)35-22-7-4-15-10-16(5-6-17(15)26(22)28)30-27(31)19-13-36-14-25(19)34-3/h4-14H,1-3H3,(H,30,31)
InChIKeyGDPCBVRKHHMQBJ-UHFFFAOYSA-N
XLogP6.66
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.54
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dichlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxamide
CID 59813842
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide
CID 59813365
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 59813538
4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide
CID 59813624
2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide
CID 59813761
6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide
CID 59813324
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 141362342
1-benzyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 177251200
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-1,3-benzodioxole-4-carboxamide
CID 59813656
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-3-ethoxythiophene-2-carboxamide
CID 59813597
4-bromo-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methylpyrazole-3-carboxamide
CID 56847293
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-ethylbenzamide
CID 59864354

Frequently Asked Questions

What is the IUPAC name of N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalen-2-yl]-4-methoxythiophene-3-carboxamide?
The IUPAC name of N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalen-2-yl]-4-methoxythiophene-3-carboxamide (CID 11306678) is N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalen-2-yl]-4-methoxythiophene-3-carboxamide.
What is the SMILES notation for N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalen-2-yl]-4-methoxythiophene-3-carboxamide?
The canonical SMILES for N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalen-2-yl]-4-methoxythiophene-3-carboxamide is COc1cc2nccc(Oc3ccc4cc(NC(=O)c5cscc5OC)ccc4c3F)c2cc1OC.
What is the InChIKey of N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalen-2-yl]-4-methoxythiophene-3-carboxamide?
The InChIKey is GDPCBVRKHHMQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN2O5S/c1-32-23-11-18-20(12-24(23)33-2)29-9-8-21(18)35-22-7-4-15-10-16(5-6-17(15)26(22)28)30-27(31)19-13-36-14-25(19)34-3/h4-14H,1-3H3,(H,30,31).
What are the key properties of N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalen-2-yl]-4-methoxythiophene-3-carboxamide?
N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalen-2-yl]-4-methoxythiophene-3-carboxamide has a molecular weight of 504.54 g/mol, XLogP of 6.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalen-2-yl]-4-methoxythiophene-3-carboxamide is sourced from PubChem (CID 11306678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).