2,6-dichloro-N-[2-(2-methoxyethyl)-3-oxo-1H-pyrrolo[3,4-c]quinolin-6-yl]benzamide

C21H17Cl2N3O3 — CID 19592849

IUPAC2,6-dichloro-N-[2-(2-methoxyethyl)-3-oxo-1H-pyrrolo[3,4-c]quinolin-6-yl]benzamide
SMILESCOCCN1Cc2c(cnc3c(NC(=O)c4c(Cl)cccc4Cl)cccc23)C1=O
InChIInChI=1S/C21H17Cl2N3O3/c1-29-9-8-26-11-14-12-4-2-7-17(19(12)24-10-13(14)21(26)28)25-20(27)18-15(22)5-3-6-16(18)23/h2-7,10H,8-9,11H2,1H3,(H,25,27)
InChIKeyGGULFCNZWQYGNV-UHFFFAOYSA-N
MW430.29 g/mol
LogP4.40
Rot. Bonds5

About 2,6-dichloro-N-[2-(2-methoxyethyl)-3-oxo-1H-pyrrolo[3,4-c]quinolin-6-yl]benzamide

2,6-dichloro-N-[2-(2-methoxyethyl)-3-oxo-1H-pyrrolo[3,4-c]quinolin-6-yl]benzamide (PubChem CID 19592849) has the molecular formula C21H17Cl2N3O3 and a molecular weight of 430.29 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(2-methoxyethyl)-3-oxo-1H-pyrrolo[3,4-c]quinolin-6-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(2-methoxyethyl)-3-oxo-1H-pyrrolo[3,4-c]quinolin-6-yl]benzamide
PubChem CID19592849
Molecular FormulaC21H17Cl2N3O3
Molecular Weight430.29 g/mol
Exact Mass429.06
IUPAC Name2,6-dichloro-N-[2-(2-methoxyethyl)-3-oxo-1H-pyrrolo[3,4-c]quinolin-6-yl]benzamide
SMILESCOCCN1Cc2c(cnc3c(NC(=O)c4c(Cl)cccc4Cl)cccc23)C1=O
InChIInChI=1S/C21H17Cl2N3O3/c1-29-9-8-26-11-14-12-4-2-7-17(19(12)24-10-13(14)21(26)28)25-20(27)18-15(22)5-3-6-16(18)23/h2-7,10H,8-9,11H2,1H3,(H,25,27)
InChIKeyGGULFCNZWQYGNV-UHFFFAOYSA-N
XLogP4.40
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.29
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[4-[2-methoxyethyl(methyl)amino]quinolin-8-yl]benzamide
CID 19592575
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
2,6-dichloro-N-[3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-8-yl]benzamide
CID 139782384
2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide
CID 19592781
2,6-dichloro-N-[4-[methoxy(methyl)amino]quinolin-8-yl]benzamide
CID 19592665
N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide
CID 19592898
N-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592719
2,6-dichloro-N-[4-(2-methoxyethoxy)-2-methylquinolin-8-yl]benzamide
CID 139782319
2,6-dichloro-N-[3-(ethoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide
CID 19592451
methyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate
CID 139782616
N-[3-bromo-4-(bromomethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592628
N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide
CID 19592480

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(2-methoxyethyl)-3-oxo-1H-pyrrolo[3,4-c]quinolin-6-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-(2-methoxyethyl)-3-oxo-1H-pyrrolo[3,4-c]quinolin-6-yl]benzamide (CID 19592849) is 2,6-dichloro-N-[2-(2-methoxyethyl)-3-oxo-1H-pyrrolo[3,4-c]quinolin-6-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(2-methoxyethyl)-3-oxo-1H-pyrrolo[3,4-c]quinolin-6-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-(2-methoxyethyl)-3-oxo-1H-pyrrolo[3,4-c]quinolin-6-yl]benzamide is COCCN1Cc2c(cnc3c(NC(=O)c4c(Cl)cccc4Cl)cccc23)C1=O.
What is the InChIKey of 2,6-dichloro-N-[2-(2-methoxyethyl)-3-oxo-1H-pyrrolo[3,4-c]quinolin-6-yl]benzamide?
The InChIKey is GGULFCNZWQYGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O3/c1-29-9-8-26-11-14-12-4-2-7-17(19(12)24-10-13(14)21(26)28)25-20(27)18-15(22)5-3-6-16(18)23/h2-7,10H,8-9,11H2,1H3,(H,25,27).
What are the key properties of 2,6-dichloro-N-[2-(2-methoxyethyl)-3-oxo-1H-pyrrolo[3,4-c]quinolin-6-yl]benzamide?
2,6-dichloro-N-[2-(2-methoxyethyl)-3-oxo-1H-pyrrolo[3,4-c]quinolin-6-yl]benzamide has a molecular weight of 430.29 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(2-methoxyethyl)-3-oxo-1H-pyrrolo[3,4-c]quinolin-6-yl]benzamide is sourced from PubChem (CID 19592849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).