8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one

C24H29ClN4O2 — CID 162648090

IUPAC8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one
SMILESCOc1ccc2c(c1)c1c(c(=O)n2CCN(C)C)c2cc(Cl)ccc2n1CCN(C)C
InChIInChI=1S/C24H29ClN4O2/c1-26(2)10-12-28-20-8-6-16(25)14-18(20)22-23(28)19-15-17(31-5)7-9-21(19)29(24(22)30)13-11-27(3)4/h6-9,14-15H,10-13H2,1-5H3
InChIKeyOHROAEQAFDAKHB-UHFFFAOYSA-N
MW440.98 g/mol
LogP3.89
Rot. Bonds7

About 8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one

8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one (PubChem CID 162648090) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is 8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one.

Molecular Properties

Compound Name8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one
PubChem CID162648090
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC Name8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one
SMILESCOc1ccc2c(c1)c1c(c(=O)n2CCN(C)C)c2cc(Cl)ccc2n1CCN(C)C
InChIInChI=1S/C24H29ClN4O2/c1-26(2)10-12-28-20-8-6-16(25)14-18(20)22-23(28)19-15-17(31-5)7-9-21(19)29(24(22)30)13-11-27(3)4/h6-9,14-15H,10-13H2,1-5H3
InChIKeyOHROAEQAFDAKHB-UHFFFAOYSA-N
XLogP3.89
TPSA42.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one?
The IUPAC name of 8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one (CID 162648090) is 8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one.
What is the SMILES notation for 8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one?
The canonical SMILES for 8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one is COc1ccc2c(c1)c1c(c(=O)n2CCN(C)C)c2cc(Cl)ccc2n1CCN(C)C.
What is the InChIKey of 8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one?
The InChIKey is OHROAEQAFDAKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c1-26(2)10-12-28-20-8-6-16(25)14-18(20)22-23(28)19-15-17(31-5)7-9-21(19)29(24(22)30)13-11-27(3)4/h6-9,14-15H,10-13H2,1-5H3.
What are the key properties of 8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one?
8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one has a molecular weight of 440.98 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one is sourced from PubChem (CID 162648090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).