N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiophene-2-carboxamide

C22H18N2O4S — CID 22132662

IUPACN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)c4cccs4)cc3)c2cc1OC
InChIInChI=1S/C22H18N2O4S/c1-26-19-12-16-17(13-20(19)27-2)23-10-9-18(16)28-15-7-5-14(6-8-15)24-22(25)21-4-3-11-29-21/h3-13H,1-2H3,(H,24,25)
InChIKeyPJGCXNNYOCGEQN-UHFFFAOYSA-N
MW406.46 g/mol
LogP5.36
Rot. Bonds6

About N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiophene-2-carboxamide

N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiophene-2-carboxamide (PubChem CID 22132662) has the molecular formula C22H18N2O4S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiophene-2-carboxamide
PubChem CID22132662
Molecular FormulaC22H18N2O4S
Molecular Weight406.46 g/mol
Exact Mass406.10
IUPAC NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)c4cccs4)cc3)c2cc1OC
InChIInChI=1S/C22H18N2O4S/c1-26-19-12-16-17(13-20(19)27-2)23-10-9-18(16)28-15-7-5-14(6-8-15)24-22(25)21-4-3-11-29-21/h3-13H,1-2H3,(H,24,25)
InChIKeyPJGCXNNYOCGEQN-UHFFFAOYSA-N
XLogP5.36
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.46
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiophene-2-carboxamide (CID 22132662) is N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiophene-2-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4cccs4)cc3)c2cc1OC.
What is the InChIKey of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiophene-2-carboxamide?
The InChIKey is PJGCXNNYOCGEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S/c1-26-19-12-16-17(13-20(19)27-2)23-10-9-18(16)28-15-7-5-14(6-8-15)24-22(25)21-4-3-11-29-21/h3-13H,1-2H3,(H,24,25).
What are the key properties of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiophene-2-carboxamide?
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiophene-2-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 22132662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).