4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide

C24H25N3O2 — CID 3290648

IUPAC4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
SMILESCCN(CC)c1ccc(C(=O)Nc2ccc3c4c(cccc24)C(=O)N3CC)cc1
InChIInChI=1S/C24H25N3O2/c1-4-26(5-2)17-12-10-16(11-13-17)23(28)25-20-14-15-21-22-18(20)8-7-9-19(22)24(29)27(21)6-3/h7-15H,4-6H2,1-3H3,(H,25,28)
InChIKeyMOUDJEDNPWFXRL-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.92
Rot. Bonds6

About 4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide

4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide (PubChem CID 3290648) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
PubChem CID3290648
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
SMILESCCN(CC)c1ccc(C(=O)Nc2ccc3c4c(cccc24)C(=O)N3CC)cc1
InChIInChI=1S/C24H25N3O2/c1-4-26(5-2)17-12-10-16(11-13-17)23(28)25-20-14-15-21-22-18(20)8-7-9-19(22)24(29)27(21)6-3/h7-15H,4-6H2,1-3H3,(H,25,28)
InChIKeyMOUDJEDNPWFXRL-UHFFFAOYSA-N
XLogP4.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide?
The IUPAC name of 4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide (CID 3290648) is 4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide.
What is the SMILES notation for 4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide?
The canonical SMILES for 4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide is CCN(CC)c1ccc(C(=O)Nc2ccc3c4c(cccc24)C(=O)N3CC)cc1.
What is the InChIKey of 4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide?
The InChIKey is MOUDJEDNPWFXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-4-26(5-2)17-12-10-16(11-13-17)23(28)25-20-14-15-21-22-18(20)8-7-9-19(22)24(29)27(21)6-3/h7-15H,4-6H2,1-3H3,(H,25,28).
What are the key properties of 4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide?
4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide has a molecular weight of 387.48 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide is sourced from PubChem (CID 3290648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).