N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide

C18H12Cl3N3O2 — CID 19592480

IUPACN-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide
SMILESNC(=O)Cc1c(Cl)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12
InChIInChI=1S/C18H12Cl3N3O2/c19-11-4-2-5-12(20)16(11)18(26)24-14-6-1-3-9-10(7-15(22)25)13(21)8-23-17(9)14/h1-6,8H,7H2,(H2,22,25)(H,24,26)
InChIKeyAKDSYISWZHLHGL-UHFFFAOYSA-N
MW408.67 g/mol
LogP4.48
Rot. Bonds4

About N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide

N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide (PubChem CID 19592480) has the molecular formula C18H12Cl3N3O2 and a molecular weight of 408.67 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide
PubChem CID19592480
Molecular FormulaC18H12Cl3N3O2
Molecular Weight408.67 g/mol
Exact Mass407.00
IUPAC NameN-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide
SMILESNC(=O)Cc1c(Cl)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12
InChIInChI=1S/C18H12Cl3N3O2/c19-11-4-2-5-12(20)16(11)18(26)24-14-6-1-3-9-10(7-15(22)25)13(21)8-23-17(9)14/h1-6,8H,7H2,(H2,22,25)(H,24,26)
InChIKeyAKDSYISWZHLHGL-UHFFFAOYSA-N
XLogP4.48
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.67
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide
CID 19592898
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
ethyl 3-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]propanoate
CID 19592289
N-[4-[(E)-3-amino-3-oxoprop-1-enyl]-3-ethylquinolin-8-yl]-2,6-dichlorobenzamide
CID 19593036
N-[3-(2-amino-2-oxoethyl)-2-methyl-1-benzofuran-7-yl]-2,6-dichlorobenzamide
CID 139721678
ethyl 8-[(2,6-dichlorobenzoyl)amino]-4-[(dimethylamino)methyl]quinoline-3-carboxylate
CID 19592589
N-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592719
N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592597
N-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592896
8-[(2,6-dichlorobenzoyl)amino]-4-imidazol-1-ylquinoline-3-carboxamide
CID 19592874

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide (CID 19592480) is N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide is NC(=O)Cc1c(Cl)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide?
The InChIKey is AKDSYISWZHLHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3N3O2/c19-11-4-2-5-12(20)16(11)18(26)24-14-6-1-3-9-10(7-15(22)25)13(21)8-23-17(9)14/h1-6,8H,7H2,(H2,22,25)(H,24,26).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide?
N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide has a molecular weight of 408.67 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide is sourced from PubChem (CID 19592480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).