N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-3-ethoxythiophene-2-carboxamide

C28H24N2O5S — CID 59813597

IUPACN-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-3-ethoxythiophene-2-carboxamide
SMILESCCOc1ccsc1C(=O)Nc1ccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc2c1
InChIInChI=1S/C28H24N2O5S/c1-4-34-24-10-12-36-27(24)28(31)30-19-7-5-18-14-20(8-6-17(18)13-19)35-23-9-11-29-22-16-26(33-3)25(32-2)15-21(22)23/h5-16H,4H2,1-3H3,(H,30,31)
InChIKeyFTTXRSGKDAWYNK-UHFFFAOYSA-N
MW500.58 g/mol
LogP6.91
Rot. Bonds8

About N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-3-ethoxythiophene-2-carboxamide

N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-3-ethoxythiophene-2-carboxamide (PubChem CID 59813597) has the molecular formula C28H24N2O5S and a molecular weight of 500.58 g/mol. Its IUPAC name is N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-3-ethoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-3-ethoxythiophene-2-carboxamide
PubChem CID59813597
Molecular FormulaC28H24N2O5S
Molecular Weight500.58 g/mol
Exact Mass500.14
IUPAC NameN-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-3-ethoxythiophene-2-carboxamide
SMILESCCOc1ccsc1C(=O)Nc1ccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc2c1
InChIInChI=1S/C28H24N2O5S/c1-4-34-24-10-12-36-27(24)28(31)30-19-7-5-18-14-20(8-6-17(18)13-19)35-23-9-11-29-22-16-26(33-3)25(32-2)15-21(22)23/h5-16H,4H2,1-3H3,(H,30,31)
InChIKeyFTTXRSGKDAWYNK-UHFFFAOYSA-N
XLogP6.91
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.58
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide
CID 59813365
2,4-dichloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]benzamide
CID 59813761
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-1,3-benzodioxole-4-carboxamide
CID 59813656
N-[6-[7-[2-(dimethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]benzamide;ethane;molecular hydrogen
CID 143083731
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(4-methoxyphenyl)-1-methylurea
CID 22132699
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 11387053
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
N-[6-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]thiophene-2-carboxamide
CID 58732910
N-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide
CID 59813469

Frequently Asked Questions

What is the IUPAC name of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-3-ethoxythiophene-2-carboxamide?
The IUPAC name of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-3-ethoxythiophene-2-carboxamide (CID 59813597) is N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-3-ethoxythiophene-2-carboxamide.
What is the SMILES notation for N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-3-ethoxythiophene-2-carboxamide?
The canonical SMILES for N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-3-ethoxythiophene-2-carboxamide is CCOc1ccsc1C(=O)Nc1ccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc2c1.
What is the InChIKey of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-3-ethoxythiophene-2-carboxamide?
The InChIKey is FTTXRSGKDAWYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O5S/c1-4-34-24-10-12-36-27(24)28(31)30-19-7-5-18-14-20(8-6-17(18)13-19)35-23-9-11-29-22-16-26(33-3)25(32-2)15-21(22)23/h5-16H,4H2,1-3H3,(H,30,31).
What are the key properties of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-3-ethoxythiophene-2-carboxamide?
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-3-ethoxythiophene-2-carboxamide has a molecular weight of 500.58 g/mol, XLogP of 6.91, 8 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)oxynaphthalen-2-yl]-3-ethoxythiophene-2-carboxamide is sourced from PubChem (CID 59813597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).