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

C23H22Cl2N4O3 — CID 19592451

IUPAC2,6-dichloro-N-[3-(ethoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide
SMILESCCOCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1N1CCN(C)C1=O
InChIInChI=1S/C23H22Cl2N4O3/c1-3-32-13-14-12-26-20-15(21(14)29-11-10-28(2)23(29)31)6-4-9-18(20)27-22(30)19-16(24)7-5-8-17(19)25/h4-9,12H,3,10-11,13H2,1-2H3,(H,27,30)
InChIKeyWCMVWNHLGDZDIP-UHFFFAOYSA-N
MW473.36 g/mol
LogP5.20
Rot. Bonds6

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

2,6-dichloro-N-[3-(ethoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide (PubChem CID 19592451) has the molecular formula C23H22Cl2N4O3 and a molecular weight of 473.36 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-(ethoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-(ethoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide
PubChem CID19592451
Molecular FormulaC23H22Cl2N4O3
Molecular Weight473.36 g/mol
Exact Mass472.11
IUPAC Name2,6-dichloro-N-[3-(ethoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide
SMILESCCOCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1N1CCN(C)C1=O
InChIInChI=1S/C23H22Cl2N4O3/c1-3-32-13-14-12-26-20-15(21(14)29-11-10-28(2)23(29)31)6-4-9-18(20)27-22(30)19-16(24)7-5-8-17(19)25/h4-9,12H,3,10-11,13H2,1-2H3,(H,27,30)
InChIKeyWCMVWNHLGDZDIP-UHFFFAOYSA-N
XLogP5.20
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.36
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide
CID 19592503
2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide
CID 19592781
2,4-dichloro-N-[3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide
CID 139782354
N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide
CID 19592898
2,6-dichloro-N-[4-(3-ethyl-2-sulfanylideneimidazolidin-1-yl)-3-methylquinolin-8-yl]benzamide
CID 139782386
N-[3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]pyridine-4-carboxamide
CID 139782439
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
2,6-dichloro-N-[6-fluoro-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide
CID 19592694
2-chloro-N-[3-chloro-4-(3-ethyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]pyridine-3-carboxamide
CID 139782589
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
N-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592719

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-(ethoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[3-(ethoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide (CID 19592451) is 2,6-dichloro-N-[3-(ethoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[3-(ethoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[3-(ethoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide is CCOCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1N1CCN(C)C1=O.
What is the InChIKey of 2,6-dichloro-N-[3-(ethoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide?
The InChIKey is WCMVWNHLGDZDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O3/c1-3-32-13-14-12-26-20-15(21(14)29-11-10-28(2)23(29)31)6-4-9-18(20)27-22(30)19-16(24)7-5-8-17(19)25/h4-9,12H,3,10-11,13H2,1-2H3,(H,27,30).
What are the key properties of 2,6-dichloro-N-[3-(ethoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide?
2,6-dichloro-N-[3-(ethoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide has a molecular weight of 473.36 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3-(ethoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide is sourced from PubChem (CID 19592451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).