N-[3-bromo-4-(bromomethyl)quinolin-8-yl]-2,6-dichlorobenzamide

C17H10Br2Cl2N2O — CID 19592628

IUPACN-[3-bromo-4-(bromomethyl)quinolin-8-yl]-2,6-dichlorobenzamide
SMILESO=C(Nc1cccc2c(CBr)c(Br)cnc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H10Br2Cl2N2O/c18-7-10-9-3-1-6-14(16(9)22-8-11(10)19)23-17(24)15-12(20)4-2-5-13(15)21/h1-6,8H,7H2,(H,23,24)
InChIKeyAJVIMOYELFKLDQ-UHFFFAOYSA-N
MW488.99 g/mol
LogP6.45
Rot. Bonds3

About N-[3-bromo-4-(bromomethyl)quinolin-8-yl]-2,6-dichlorobenzamide

N-[3-bromo-4-(bromomethyl)quinolin-8-yl]-2,6-dichlorobenzamide (PubChem CID 19592628) has the molecular formula C17H10Br2Cl2N2O and a molecular weight of 488.99 g/mol. Its IUPAC name is N-[3-bromo-4-(bromomethyl)quinolin-8-yl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[3-bromo-4-(bromomethyl)quinolin-8-yl]-2,6-dichlorobenzamide
PubChem CID19592628
Molecular FormulaC17H10Br2Cl2N2O
Molecular Weight488.99 g/mol
Exact Mass485.85
IUPAC NameN-[3-bromo-4-(bromomethyl)quinolin-8-yl]-2,6-dichlorobenzamide
SMILESO=C(Nc1cccc2c(CBr)c(Br)cnc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H10Br2Cl2N2O/c18-7-10-9-3-1-6-14(16(9)22-8-11(10)19)23-17(24)15-12(20)4-2-5-13(15)21/h1-6,8H,7H2,(H,23,24)
InChIKeyAJVIMOYELFKLDQ-UHFFFAOYSA-N
XLogP6.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.99
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide
CID 19592480
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide
CID 19592898
2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide
CID 19592923
N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
CID 35286890
ethyl 3-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]propanoate
CID 19592289
ethyl 8-[(2,6-dichlorobenzoyl)amino]-4-[(dimethylamino)methyl]quinoline-3-carboxylate
CID 19592589
2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide
CID 19592443
N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592597
2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide
CID 139782357
N-[4-[(E)-3-amino-3-oxoprop-1-enyl]-3-ethylquinolin-8-yl]-2,6-dichlorobenzamide
CID 19593036
2,6-dichloro-N-[4-(3,4-dichlorophenoxy)-3-methylquinolin-8-yl]benzamide
CID 139782456

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-4-(bromomethyl)quinolin-8-yl]-2,6-dichlorobenzamide?
The IUPAC name of N-[3-bromo-4-(bromomethyl)quinolin-8-yl]-2,6-dichlorobenzamide (CID 19592628) is N-[3-bromo-4-(bromomethyl)quinolin-8-yl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[3-bromo-4-(bromomethyl)quinolin-8-yl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[3-bromo-4-(bromomethyl)quinolin-8-yl]-2,6-dichlorobenzamide is O=C(Nc1cccc2c(CBr)c(Br)cnc12)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[3-bromo-4-(bromomethyl)quinolin-8-yl]-2,6-dichlorobenzamide?
The InChIKey is AJVIMOYELFKLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Br2Cl2N2O/c18-7-10-9-3-1-6-14(16(9)22-8-11(10)19)23-17(24)15-12(20)4-2-5-13(15)21/h1-6,8H,7H2,(H,23,24).
What are the key properties of N-[3-bromo-4-(bromomethyl)quinolin-8-yl]-2,6-dichlorobenzamide?
N-[3-bromo-4-(bromomethyl)quinolin-8-yl]-2,6-dichlorobenzamide has a molecular weight of 488.99 g/mol, XLogP of 6.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-4-(bromomethyl)quinolin-8-yl]-2,6-dichlorobenzamide is sourced from PubChem (CID 19592628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).