2,6-dichloro-N-[3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinolin-8-yl]benzamide

C22H17Cl2N3O2S — CID 139782497

IUPAC2,6-dichloro-N-[3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinolin-8-yl]benzamide
SMILESCc1nc(COc2c(C)cnc3c(NC(=O)c4c(Cl)cccc4Cl)cccc23)cs1
InChIInChI=1S/C22H17Cl2N3O2S/c1-12-9-25-20-15(21(12)29-10-14-11-30-13(2)26-14)5-3-8-18(20)27-22(28)19-16(23)6-4-7-17(19)24/h3-9,11H,10H2,1-2H3,(H,27,28)
InChIKeyNOCVMPMWDMTTSF-UHFFFAOYSA-N
MW458.37 g/mol
LogP6.45
Rot. Bonds5

About 2,6-dichloro-N-[3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinolin-8-yl]benzamide

2,6-dichloro-N-[3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinolin-8-yl]benzamide (PubChem CID 139782497) has the molecular formula C22H17Cl2N3O2S and a molecular weight of 458.37 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinolin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinolin-8-yl]benzamide
PubChem CID139782497
Molecular FormulaC22H17Cl2N3O2S
Molecular Weight458.37 g/mol
Exact Mass457.04
IUPAC Name2,6-dichloro-N-[3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinolin-8-yl]benzamide
SMILESCc1nc(COc2c(C)cnc3c(NC(=O)c4c(Cl)cccc4Cl)cccc23)cs1
InChIInChI=1S/C22H17Cl2N3O2S/c1-12-9-25-20-15(21(12)29-10-14-11-30-13(2)26-14)5-3-8-18(20)27-22(28)19-16(23)6-4-7-17(19)24/h3-9,11H,10H2,1-2H3,(H,27,28)
InChIKeyNOCVMPMWDMTTSF-UHFFFAOYSA-N
XLogP6.45
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.37
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,6-dichloro-N-[3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinolin-8-yl]benzamide with MolForge

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Related Compounds

methyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate
CID 139782616
2,6-dichloro-N-[3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-8-yl]benzamide
CID 139782384
2,6-dichloro-N-[4-(3,4-dichlorophenoxy)-3-methylquinolin-8-yl]benzamide
CID 139782456
2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide
CID 19592443
2,6-dichloro-N-[3-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]quinolin-8-yl]benzamide
CID 139782493
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide
CID 139782357
N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide
CID 19592898
N-[4-(1H-benzimidazol-2-ylsulfanyl)-3-methylquinolin-8-yl]-2,6-dichlorobenzamide
CID 19592790
N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide
CID 19592480
N-[3-bromo-4-(bromomethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592628
2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide
CID 19592923

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinolin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinolin-8-yl]benzamide (CID 139782497) is 2,6-dichloro-N-[3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinolin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinolin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinolin-8-yl]benzamide is Cc1nc(COc2c(C)cnc3c(NC(=O)c4c(Cl)cccc4Cl)cccc23)cs1.
What is the InChIKey of 2,6-dichloro-N-[3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinolin-8-yl]benzamide?
The InChIKey is NOCVMPMWDMTTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O2S/c1-12-9-25-20-15(21(12)29-10-14-11-30-13(2)26-14)5-3-8-18(20)27-22(28)19-16(23)6-4-7-17(19)24/h3-9,11H,10H2,1-2H3,(H,27,28).
What are the key properties of 2,6-dichloro-N-[3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinolin-8-yl]benzamide?
2,6-dichloro-N-[3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinolin-8-yl]benzamide has a molecular weight of 458.37 g/mol, XLogP of 6.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinolin-8-yl]benzamide is sourced from PubChem (CID 139782497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).