5,7-bis[2-(diethylamino)ethyl]indolo[2,3-c]quinolin-6-one

C27H36N4O — CID 21445442

IUPAC5,7-bis[2-(diethylamino)ethyl]indolo[2,3-c]quinolin-6-one
SMILESCCN(CC)CCn1c(=O)c2c(c3ccccc31)c1ccccc1n2CCN(CC)CC
InChIInChI=1S/C27H36N4O/c1-5-28(6-2)17-19-30-23-15-11-9-13-21(23)25-22-14-10-12-16-24(22)31(27(32)26(25)30)20-18-29(7-3)8-4/h9-16H,5-8,17-20H2,1-4H3
InChIKeyRZPMKWWIJMDVKX-UHFFFAOYSA-N
MW432.61 g/mol
LogP4.79
Rot. Bonds10

About 5,7-bis[2-(diethylamino)ethyl]indolo[2,3-c]quinolin-6-one

5,7-bis[2-(diethylamino)ethyl]indolo[2,3-c]quinolin-6-one (PubChem CID 21445442) has the molecular formula C27H36N4O and a molecular weight of 432.61 g/mol. Its IUPAC name is 5,7-bis[2-(diethylamino)ethyl]indolo[2,3-c]quinolin-6-one.

Molecular Properties

Compound Name5,7-bis[2-(diethylamino)ethyl]indolo[2,3-c]quinolin-6-one
PubChem CID21445442
Molecular FormulaC27H36N4O
Molecular Weight432.61 g/mol
Exact Mass432.29
IUPAC Name5,7-bis[2-(diethylamino)ethyl]indolo[2,3-c]quinolin-6-one
SMILESCCN(CC)CCn1c(=O)c2c(c3ccccc31)c1ccccc1n2CCN(CC)CC
InChIInChI=1S/C27H36N4O/c1-5-28(6-2)17-19-30-23-15-11-9-13-21(23)25-22-14-10-12-16-24(22)31(27(32)26(25)30)20-18-29(7-3)8-4/h9-16H,5-8,17-20H2,1-4H3
InChIKeyRZPMKWWIJMDVKX-UHFFFAOYSA-N
XLogP4.79
TPSA33.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis[2-(diethylamino)ethyl]indolo[2,3-c]quinolin-6-one?
The IUPAC name of 5,7-bis[2-(diethylamino)ethyl]indolo[2,3-c]quinolin-6-one (CID 21445442) is 5,7-bis[2-(diethylamino)ethyl]indolo[2,3-c]quinolin-6-one.
What is the SMILES notation for 5,7-bis[2-(diethylamino)ethyl]indolo[2,3-c]quinolin-6-one?
The canonical SMILES for 5,7-bis[2-(diethylamino)ethyl]indolo[2,3-c]quinolin-6-one is CCN(CC)CCn1c(=O)c2c(c3ccccc31)c1ccccc1n2CCN(CC)CC.
What is the InChIKey of 5,7-bis[2-(diethylamino)ethyl]indolo[2,3-c]quinolin-6-one?
The InChIKey is RZPMKWWIJMDVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O/c1-5-28(6-2)17-19-30-23-15-11-9-13-21(23)25-22-14-10-12-16-24(22)31(27(32)26(25)30)20-18-29(7-3)8-4/h9-16H,5-8,17-20H2,1-4H3.
What are the key properties of 5,7-bis[2-(diethylamino)ethyl]indolo[2,3-c]quinolin-6-one?
5,7-bis[2-(diethylamino)ethyl]indolo[2,3-c]quinolin-6-one has a molecular weight of 432.61 g/mol, XLogP of 4.79, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis[2-(diethylamino)ethyl]indolo[2,3-c]quinolin-6-one is sourced from PubChem (CID 21445442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).