3-chloro-5,11-bis[2-(dimethylamino)ethyl]-8,9-dimethoxyindolo[3,2-c]quinolin-6-one

C25H31ClN4O3 — CID 162660138

IUPAC3-chloro-5,11-bis[2-(dimethylamino)ethyl]-8,9-dimethoxyindolo[3,2-c]quinolin-6-one
SMILESCOc1cc2c3c(=O)n(CCN(C)C)c4cc(Cl)ccc4c3n(CCN(C)C)c2cc1OC
InChIInChI=1S/C25H31ClN4O3/c1-27(2)9-11-29-20-15-22(33-6)21(32-5)14-18(20)23-24(29)17-8-7-16(26)13-19(17)30(25(23)31)12-10-28(3)4/h7-8,13-15H,9-12H2,1-6H3
InChIKeyKDSULPOZPGMJRM-UHFFFAOYSA-N
MW471.00 g/mol
LogP3.90
Rot. Bonds8

About 3-chloro-5,11-bis[2-(dimethylamino)ethyl]-8,9-dimethoxyindolo[3,2-c]quinolin-6-one

3-chloro-5,11-bis[2-(dimethylamino)ethyl]-8,9-dimethoxyindolo[3,2-c]quinolin-6-one (PubChem CID 162660138) has the molecular formula C25H31ClN4O3 and a molecular weight of 471.00 g/mol. Its IUPAC name is 3-chloro-5,11-bis[2-(dimethylamino)ethyl]-8,9-dimethoxyindolo[3,2-c]quinolin-6-one.

Molecular Properties

Compound Name3-chloro-5,11-bis[2-(dimethylamino)ethyl]-8,9-dimethoxyindolo[3,2-c]quinolin-6-one
PubChem CID162660138
Molecular FormulaC25H31ClN4O3
Molecular Weight471.00 g/mol
Exact Mass470.21
IUPAC Name3-chloro-5,11-bis[2-(dimethylamino)ethyl]-8,9-dimethoxyindolo[3,2-c]quinolin-6-one
SMILESCOc1cc2c3c(=O)n(CCN(C)C)c4cc(Cl)ccc4c3n(CCN(C)C)c2cc1OC
InChIInChI=1S/C25H31ClN4O3/c1-27(2)9-11-29-20-15-22(33-6)21(32-5)14-18(20)23-24(29)17-8-7-16(26)13-19(17)30(25(23)31)12-10-28(3)4/h7-8,13-15H,9-12H2,1-6H3
InChIKeyKDSULPOZPGMJRM-UHFFFAOYSA-N
XLogP3.90
TPSA51.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.00
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,11-bis[2-(dimethylamino)ethyl]-8,9-dimethoxyindolo[3,2-c]quinolin-6-one?
The IUPAC name of 3-chloro-5,11-bis[2-(dimethylamino)ethyl]-8,9-dimethoxyindolo[3,2-c]quinolin-6-one (CID 162660138) is 3-chloro-5,11-bis[2-(dimethylamino)ethyl]-8,9-dimethoxyindolo[3,2-c]quinolin-6-one.
What is the SMILES notation for 3-chloro-5,11-bis[2-(dimethylamino)ethyl]-8,9-dimethoxyindolo[3,2-c]quinolin-6-one?
The canonical SMILES for 3-chloro-5,11-bis[2-(dimethylamino)ethyl]-8,9-dimethoxyindolo[3,2-c]quinolin-6-one is COc1cc2c3c(=O)n(CCN(C)C)c4cc(Cl)ccc4c3n(CCN(C)C)c2cc1OC.
What is the InChIKey of 3-chloro-5,11-bis[2-(dimethylamino)ethyl]-8,9-dimethoxyindolo[3,2-c]quinolin-6-one?
The InChIKey is KDSULPOZPGMJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O3/c1-27(2)9-11-29-20-15-22(33-6)21(32-5)14-18(20)23-24(29)17-8-7-16(26)13-19(17)30(25(23)31)12-10-28(3)4/h7-8,13-15H,9-12H2,1-6H3.
What are the key properties of 3-chloro-5,11-bis[2-(dimethylamino)ethyl]-8,9-dimethoxyindolo[3,2-c]quinolin-6-one?
3-chloro-5,11-bis[2-(dimethylamino)ethyl]-8,9-dimethoxyindolo[3,2-c]quinolin-6-one has a molecular weight of 471.00 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,11-bis[2-(dimethylamino)ethyl]-8,9-dimethoxyindolo[3,2-c]quinolin-6-one is sourced from PubChem (CID 162660138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).