2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide

C21H21Cl2N3O — CID 19592923

IUPAC2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide
SMILESCCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CN(C)C
InChIInChI=1S/C21H21Cl2N3O/c1-4-13-11-24-20-14(15(13)12-26(2)3)7-5-10-18(20)25-21(27)19-16(22)8-6-9-17(19)23/h5-11H,4,12H2,1-3H3,(H,25,27)
InChIKeyIIPMBUOZYMJLRP-UHFFFAOYSA-N
MW402.33 g/mol
LogP5.42
Rot. Bonds5

About 2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide

2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide (PubChem CID 19592923) has the molecular formula C21H21Cl2N3O and a molecular weight of 402.33 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide
PubChem CID19592923
Molecular FormulaC21H21Cl2N3O
Molecular Weight402.33 g/mol
Exact Mass401.11
IUPAC Name2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide
SMILESCCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CN(C)C
InChIInChI=1S/C21H21Cl2N3O/c1-4-13-11-24-20-14(15(13)12-26(2)3)7-5-10-18(20)25-21(27)19-16(22)8-6-9-17(19)23/h5-11H,4,12H2,1-3H3,(H,25,27)
InChIKeyIIPMBUOZYMJLRP-UHFFFAOYSA-N
XLogP5.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.33
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide
CID 19592898
ethyl 8-[(2,6-dichlorobenzoyl)amino]-4-[(dimethylamino)methyl]quinoline-3-carboxylate
CID 19592589
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
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
N-[4-[(E)-3-amino-3-oxoprop-1-enyl]-3-ethylquinolin-8-yl]-2,6-dichlorobenzamide
CID 19593036
N-[3-bromo-4-(bromomethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592628
N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592597
N-[4-(2-acetyl-2-methylhydrazinyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592886
2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide
CID 19592443
N-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592719
2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide
CID 139782357

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide (CID 19592923) is 2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide is CCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CN(C)C.
What is the InChIKey of 2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide?
The InChIKey is IIPMBUOZYMJLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O/c1-4-13-11-24-20-14(15(13)12-26(2)3)7-5-10-18(20)25-21(27)19-16(22)8-6-9-17(19)23/h5-11H,4,12H2,1-3H3,(H,25,27).
What are the key properties of 2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide?
2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide has a molecular weight of 402.33 g/mol, XLogP of 5.42, 5 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-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide is sourced from PubChem (CID 19592923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).