2,6-dichloro-N-[4-chloro-6-fluoro-3-(methoxymethyl)quinolin-8-yl]benzamide

C18H12Cl3FN2O2 — CID 139782449

IUPAC2,6-dichloro-N-[4-chloro-6-fluoro-3-(methoxymethyl)quinolin-8-yl]benzamide
SMILESCOCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cc(F)cc2c1Cl
InChIInChI=1S/C18H12Cl3FN2O2/c1-26-8-9-7-23-17-11(16(9)21)5-10(22)6-14(17)24-18(25)15-12(19)3-2-4-13(15)20/h2-7H,8H2,1H3,(H,24,25)
InChIKeyBDUSIXJZJOQULQ-UHFFFAOYSA-N
MW413.66 g/mol
LogP5.73
Rot. Bonds4

About 2,6-dichloro-N-[4-chloro-6-fluoro-3-(methoxymethyl)quinolin-8-yl]benzamide

2,6-dichloro-N-[4-chloro-6-fluoro-3-(methoxymethyl)quinolin-8-yl]benzamide (PubChem CID 139782449) has the molecular formula C18H12Cl3FN2O2 and a molecular weight of 413.66 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-chloro-6-fluoro-3-(methoxymethyl)quinolin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-chloro-6-fluoro-3-(methoxymethyl)quinolin-8-yl]benzamide
PubChem CID139782449
Molecular FormulaC18H12Cl3FN2O2
Molecular Weight413.66 g/mol
Exact Mass411.99
IUPAC Name2,6-dichloro-N-[4-chloro-6-fluoro-3-(methoxymethyl)quinolin-8-yl]benzamide
SMILESCOCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cc(F)cc2c1Cl
InChIInChI=1S/C18H12Cl3FN2O2/c1-26-8-9-7-23-17-11(16(9)21)5-10(22)6-14(17)24-18(25)15-12(19)3-2-4-13(15)20/h2-7H,8H2,1H3,(H,24,25)
InChIKeyBDUSIXJZJOQULQ-UHFFFAOYSA-N
XLogP5.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.66
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592719
2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide
CID 19592781
N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide
CID 19592898
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
2,6-dichloro-N-[6-fluoro-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide
CID 19592694
2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide
CID 19592923
N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592597
2,6-dichloro-N-(4-chloro-6-methylquinolin-8-yl)benzamide
CID 19592532
ethyl 3-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]propanoate
CID 19592289
N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide
CID 19592480
methyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate
CID 139782616
N-[4-[(E)-3-amino-3-oxoprop-1-enyl]-3-ethylquinolin-8-yl]-2,6-dichlorobenzamide
CID 19593036

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-chloro-6-fluoro-3-(methoxymethyl)quinolin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[4-chloro-6-fluoro-3-(methoxymethyl)quinolin-8-yl]benzamide (CID 139782449) is 2,6-dichloro-N-[4-chloro-6-fluoro-3-(methoxymethyl)quinolin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[4-chloro-6-fluoro-3-(methoxymethyl)quinolin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[4-chloro-6-fluoro-3-(methoxymethyl)quinolin-8-yl]benzamide is COCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cc(F)cc2c1Cl.
What is the InChIKey of 2,6-dichloro-N-[4-chloro-6-fluoro-3-(methoxymethyl)quinolin-8-yl]benzamide?
The InChIKey is BDUSIXJZJOQULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3FN2O2/c1-26-8-9-7-23-17-11(16(9)21)5-10(22)6-14(17)24-18(25)15-12(19)3-2-4-13(15)20/h2-7H,8H2,1H3,(H,24,25).
What are the key properties of 2,6-dichloro-N-[4-chloro-6-fluoro-3-(methoxymethyl)quinolin-8-yl]benzamide?
2,6-dichloro-N-[4-chloro-6-fluoro-3-(methoxymethyl)quinolin-8-yl]benzamide has a molecular weight of 413.66 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[4-chloro-6-fluoro-3-(methoxymethyl)quinolin-8-yl]benzamide is sourced from PubChem (CID 139782449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).