9-chloro-5-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione

C22H21ClN2O4 — CID 54673288

IUPAC9-chloro-5-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione
SMILESCOc1cc2c3c(c(=O)n(CCN(C)C)c2cc1OC)-c1ccc(Cl)cc1C3=O
InChIInChI=1S/C22H21ClN2O4/c1-24(2)7-8-25-16-11-18(29-4)17(28-3)10-15(16)19-20(22(25)27)13-6-5-12(23)9-14(13)21(19)26/h5-6,9-11H,7-8H2,1-4H3
InChIKeyVLEJCKBRWDLPFD-UHFFFAOYSA-N
MW412.87 g/mol
LogP3.45
Rot. Bonds5

About 9-chloro-5-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione

9-chloro-5-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione (PubChem CID 54673288) has the molecular formula C22H21ClN2O4 and a molecular weight of 412.87 g/mol. Its IUPAC name is 9-chloro-5-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione.

Molecular Properties

Compound Name9-chloro-5-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione
PubChem CID54673288
Molecular FormulaC22H21ClN2O4
Molecular Weight412.87 g/mol
Exact Mass412.12
IUPAC Name9-chloro-5-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione
SMILESCOc1cc2c3c(c(=O)n(CCN(C)C)c2cc1OC)-c1ccc(Cl)cc1C3=O
InChIInChI=1S/C22H21ClN2O4/c1-24(2)7-8-25-16-11-18(29-4)17(28-3)10-15(16)19-20(22(25)27)13-6-5-12(23)9-14(13)21(19)26/h5-6,9-11H,7-8H2,1-4H3
InChIKeyVLEJCKBRWDLPFD-UHFFFAOYSA-N
XLogP3.45
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-5-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione?
The IUPAC name of 9-chloro-5-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione (CID 54673288) is 9-chloro-5-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione.
What is the SMILES notation for 9-chloro-5-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione?
The canonical SMILES for 9-chloro-5-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione is COc1cc2c3c(c(=O)n(CCN(C)C)c2cc1OC)-c1ccc(Cl)cc1C3=O.
What is the InChIKey of 9-chloro-5-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione?
The InChIKey is VLEJCKBRWDLPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4/c1-24(2)7-8-25-16-11-18(29-4)17(28-3)10-15(16)19-20(22(25)27)13-6-5-12(23)9-14(13)21(19)26/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of 9-chloro-5-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione?
9-chloro-5-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione has a molecular weight of 412.87 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-5-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione is sourced from PubChem (CID 54673288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).