N-(4-tert-butyl-5-cyano-1,3-thiazol-2-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide

C30H26N4O4S — CID 59813573

IUPACN-(4-tert-butyl-5-cyano-1,3-thiazol-2-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5nc(C(C)(C)C)c(C#N)s5)cccc4c3)c2cc1OC
InChIInChI=1S/C30H26N4O4S/c1-30(2,3)27-26(16-31)39-29(33-27)34-28(35)20-8-6-7-17-13-18(9-10-19(17)20)38-23-11-12-32-22-15-25(37-5)24(36-4)14-21(22)23/h6-15H,1-5H3,(H,33,34,35)
InChIKeyGSYKDTPRXAHXSN-UHFFFAOYSA-N
MW538.63 g/mol
LogP7.08
Rot. Bonds6

About N-(4-tert-butyl-5-cyano-1,3-thiazol-2-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide

N-(4-tert-butyl-5-cyano-1,3-thiazol-2-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide (PubChem CID 59813573) has the molecular formula C30H26N4O4S and a molecular weight of 538.63 g/mol. Its IUPAC name is N-(4-tert-butyl-5-cyano-1,3-thiazol-2-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-5-cyano-1,3-thiazol-2-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
PubChem CID59813573
Molecular FormulaC30H26N4O4S
Molecular Weight538.63 g/mol
Exact Mass538.17
IUPAC NameN-(4-tert-butyl-5-cyano-1,3-thiazol-2-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5nc(C(C)(C)C)c(C#N)s5)cccc4c3)c2cc1OC
InChIInChI=1S/C30H26N4O4S/c1-30(2,3)27-26(16-31)39-29(33-27)34-28(35)20-8-6-7-17-13-18(9-10-19(17)20)38-23-11-12-32-22-15-25(37-5)24(36-4)14-21(22)23/h6-15H,1-5H3,(H,33,34,35)
InChIKeyGSYKDTPRXAHXSN-UHFFFAOYSA-N
XLogP7.08
TPSA106.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.63
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(6,7-dimethoxyquinolin-4-yl)oxy-N-propan-2-ylnaphthalene-1-carboxamide
CID 24822600
N-(2-cyano-5-phenylfuran-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 59813889
6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide
CID 59813772
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(2-ethylpyrazol-3-yl)naphthalene-1-carboxamide
CID 59813478
N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 59813683
4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 24822268
6-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxy-N-methylnaphthalene-1-carboxamide
CID 67276786
7-methoxy-4-[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 169101843
N-(5-tert-butyl-2-methoxyphenyl)-6-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide
CID 59813253
4-[5-[(3,4-dimethylphenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 175933294
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-methylbenzamide
CID 59813260

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-5-cyano-1,3-thiazol-2-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
The IUPAC name of N-(4-tert-butyl-5-cyano-1,3-thiazol-2-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide (CID 59813573) is N-(4-tert-butyl-5-cyano-1,3-thiazol-2-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-5-cyano-1,3-thiazol-2-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
The canonical SMILES for N-(4-tert-butyl-5-cyano-1,3-thiazol-2-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide is COc1cc2nccc(Oc3ccc4c(C(=O)Nc5nc(C(C)(C)C)c(C#N)s5)cccc4c3)c2cc1OC.
What is the InChIKey of N-(4-tert-butyl-5-cyano-1,3-thiazol-2-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
The InChIKey is GSYKDTPRXAHXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O4S/c1-30(2,3)27-26(16-31)39-29(33-27)34-28(35)20-8-6-7-17-13-18(9-10-19(17)20)38-23-11-12-32-22-15-25(37-5)24(36-4)14-21(22)23/h6-15H,1-5H3,(H,33,34,35).
What are the key properties of N-(4-tert-butyl-5-cyano-1,3-thiazol-2-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
N-(4-tert-butyl-5-cyano-1,3-thiazol-2-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide has a molecular weight of 538.63 g/mol, XLogP of 7.08, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-5-cyano-1,3-thiazol-2-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide is sourced from PubChem (CID 59813573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).