6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide

C27H23N3O4S — CID 59813772

IUPAC6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)NC(C)c5nccs5)cccc4c3)c2cc1OC
InChIInChI=1S/C27H23N3O4S/c1-16(27-29-11-12-35-27)30-26(31)20-6-4-5-17-13-18(7-8-19(17)20)34-23-9-10-28-22-15-25(33-3)24(32-2)14-21(22)23/h4-16H,1-3H3,(H,30,31)
InChIKeyJHDLGMYOIXVMDJ-UHFFFAOYSA-N
MW485.57 g/mol
LogP6.14
Rot. Bonds7

About 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide

6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide (PubChem CID 59813772) has the molecular formula C27H23N3O4S and a molecular weight of 485.57 g/mol. Its IUPAC name is 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide
PubChem CID59813772
Molecular FormulaC27H23N3O4S
Molecular Weight485.57 g/mol
Exact Mass485.14
IUPAC Name6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)NC(C)c5nccs5)cccc4c3)c2cc1OC
InChIInChI=1S/C27H23N3O4S/c1-16(27-29-11-12-35-27)30-26(31)20-6-4-5-17-13-18(7-8-19(17)20)34-23-9-10-28-22-15-25(33-3)24(32-2)14-21(22)23/h4-16H,1-3H3,(H,30,31)
InChIKeyJHDLGMYOIXVMDJ-UHFFFAOYSA-N
XLogP6.14
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.57
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(6,7-dimethoxyquinolin-4-yl)oxy-N-propan-2-ylnaphthalene-1-carboxamide
CID 24822600
6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276
6-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxy-N-methylnaphthalene-1-carboxamide
CID 67276786
N-(4-tert-butyl-5-cyano-1,3-thiazol-2-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 59813573
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(2-ethylpyrazol-3-yl)naphthalene-1-carboxamide
CID 59813478
6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
CID 25031916
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-(6,7-dimethoxyquinolin-4-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
CID 59813247
N-(2-cyano-5-phenylfuran-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 59813889
4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxy-N-methylquinoline-6-carboxamide
CID 11316645
7-methoxy-4-[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 169101843

Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide?
The IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide (CID 59813772) is 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide?
The canonical SMILES for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide is COc1cc2nccc(Oc3ccc4c(C(=O)NC(C)c5nccs5)cccc4c3)c2cc1OC.
What is the InChIKey of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide?
The InChIKey is JHDLGMYOIXVMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O4S/c1-16(27-29-11-12-35-27)30-26(31)20-6-4-5-17-13-18(7-8-19(17)20)34-23-9-10-28-22-15-25(33-3)24(32-2)14-21(22)23/h4-16H,1-3H3,(H,30,31).
What are the key properties of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide?
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide has a molecular weight of 485.57 g/mol, XLogP of 6.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[1-(1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 59813772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).