4-chloro-N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzamide

C20H14ClN3O3 — CID 6735720

IUPAC4-chloro-N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzamide
SMILESCCc1nc2ccccc2c2c1C(=O)N(NC(=O)c1ccc(Cl)cc1)C2=O
InChIInChI=1S/C20H14ClN3O3/c1-2-14-17-16(13-5-3-4-6-15(13)22-14)19(26)24(20(17)27)23-18(25)11-7-9-12(21)10-8-11/h3-10H,2H2,1H3,(H,23,25)
InChIKeyTYQUWJGDXVVMTH-UHFFFAOYSA-N
MW379.80 g/mol
LogP3.39
Rot. Bonds3

About 4-chloro-N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzamide

4-chloro-N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzamide (PubChem CID 6735720) has the molecular formula C20H14ClN3O3 and a molecular weight of 379.80 g/mol. Its IUPAC name is 4-chloro-N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzamide
PubChem CID6735720
Molecular FormulaC20H14ClN3O3
Molecular Weight379.80 g/mol
Exact Mass379.07
IUPAC Name4-chloro-N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzamide
SMILESCCc1nc2ccccc2c2c1C(=O)N(NC(=O)c1ccc(Cl)cc1)C2=O
InChIInChI=1S/C20H14ClN3O3/c1-2-14-17-16(13-5-3-4-6-15(13)22-14)19(26)24(20(17)27)23-18(25)11-7-9-12(21)10-8-11/h3-10H,2H2,1H3,(H,23,25)
InChIKeyTYQUWJGDXVVMTH-UHFFFAOYSA-N
XLogP3.39
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzamide (CID 6735720) is 4-chloro-N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzamide is CCc1nc2ccccc2c2c1C(=O)N(NC(=O)c1ccc(Cl)cc1)C2=O.
What is the InChIKey of 4-chloro-N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzamide?
The InChIKey is TYQUWJGDXVVMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3/c1-2-14-17-16(13-5-3-4-6-15(13)22-14)19(26)24(20(17)27)23-18(25)11-7-9-12(21)10-8-11/h3-10H,2H2,1H3,(H,23,25).
What are the key properties of 4-chloro-N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzamide?
4-chloro-N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzamide has a molecular weight of 379.80 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-ethyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzamide is sourced from PubChem (CID 6735720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).