2-(5-chloro-2-methoxyphenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione

C19H13ClN2O3 — CID 22422590

IUPAC2-(5-chloro-2-methoxyphenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCOc1ccc(Cl)cc1N1C(=O)c2c(C)nc3ccccc3c2C1=O
InChIInChI=1S/C19H13ClN2O3/c1-10-16-17(12-5-3-4-6-13(12)21-10)19(24)22(18(16)23)14-9-11(20)7-8-15(14)25-2/h3-9H,1-2H3
InChIKeyMUCKYEGETMLFHN-UHFFFAOYSA-N
MW352.78 g/mol
LogP4.01
Rot. Bonds2

About 2-(5-chloro-2-methoxyphenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione

2-(5-chloro-2-methoxyphenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 22422590) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID22422590
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name2-(5-chloro-2-methoxyphenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCOc1ccc(Cl)cc1N1C(=O)c2c(C)nc3ccccc3c2C1=O
InChIInChI=1S/C19H13ClN2O3/c1-10-16-17(12-5-3-4-6-13(12)21-10)19(24)22(18(16)23)14-9-11(20)7-8-15(14)25-2/h3-9H,1-2H3
InChIKeyMUCKYEGETMLFHN-UHFFFAOYSA-N
XLogP4.01
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 54.01
H-Bond Donors ≤ 50
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 2-(5-chloro-2-methoxyphenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione (CID 22422590) is 2-(5-chloro-2-methoxyphenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione is COc1ccc(Cl)cc1N1C(=O)c2c(C)nc3ccccc3c2C1=O.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is MUCKYEGETMLFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c1-10-16-17(12-5-3-4-6-13(12)21-10)19(24)22(18(16)23)14-9-11(20)7-8-15(14)25-2/h3-9H,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
2-(5-chloro-2-methoxyphenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 352.78 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 22422590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).