8-(dipropylamino)-1-oxido-6,7,8,9-tetrahydro-3H-benzo[g]indol-2-one

C18H25N2O2- — CID 88703612

IUPAC8-(dipropylamino)-1-oxido-6,7,8,9-tetrahydro-3H-benzo[g]indol-2-one
SMILESCCCN(CCC)C1CCc2ccc3c(c2C1)N([O-])C(=O)C3
InChIInChI=1S/C18H25N2O2/c1-3-9-19(10-4-2)15-8-7-13-5-6-14-11-17(21)20(22)18(14)16(13)12-15/h5-6,15H,3-4,7-12H2,1-2H3/q-1
InChIKeyQJEDLHKJVYTMDI-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.05
Rot. Bonds5

About 8-(dipropylamino)-1-oxido-6,7,8,9-tetrahydro-3H-benzo[g]indol-2-one

8-(dipropylamino)-1-oxido-6,7,8,9-tetrahydro-3H-benzo[g]indol-2-one (PubChem CID 88703612) has the molecular formula C18H25N2O2- and a molecular weight of 301.41 g/mol. Its IUPAC name is 8-(dipropylamino)-1-oxido-6,7,8,9-tetrahydro-3H-benzo[g]indol-2-one.

Molecular Properties

Compound Name8-(dipropylamino)-1-oxido-6,7,8,9-tetrahydro-3H-benzo[g]indol-2-one
PubChem CID88703612
Molecular FormulaC18H25N2O2-
Molecular Weight301.41 g/mol
Exact Mass301.19
IUPAC Name8-(dipropylamino)-1-oxido-6,7,8,9-tetrahydro-3H-benzo[g]indol-2-one
SMILESCCCN(CCC)C1CCc2ccc3c(c2C1)N([O-])C(=O)C3
InChIInChI=1S/C18H25N2O2/c1-3-9-19(10-4-2)15-8-7-13-5-6-14-11-17(21)20(22)18(14)16(13)12-15/h5-6,15H,3-4,7-12H2,1-2H3/q-1
InChIKeyQJEDLHKJVYTMDI-UHFFFAOYSA-N
XLogP3.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-7-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 19032654
(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 6603866
1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one
CID 54473836
7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
CID 15230497
N,N-dipropyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 15908435
1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]pentan-1-one
CID 10087077
(E)-3-(dimethylamino)-1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-en-1-one
CID 15222437
(NE)-N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butylidene]hydroxylamine
CID 139908769
7-N-ethyl-2-N,2-N-dipropyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
CID 14798947
4,4-dimethyl-1-[4-[propyl-[(8S)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl]amino]butyl]piperidine-2,6-dione
CID 10342261
N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethylidene]hydroxylamine
CID 74044271
(2R)-8-(4-fluorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10426492

Frequently Asked Questions

What is the IUPAC name of 8-(dipropylamino)-1-oxido-6,7,8,9-tetrahydro-3H-benzo[g]indol-2-one?
The IUPAC name of 8-(dipropylamino)-1-oxido-6,7,8,9-tetrahydro-3H-benzo[g]indol-2-one (CID 88703612) is 8-(dipropylamino)-1-oxido-6,7,8,9-tetrahydro-3H-benzo[g]indol-2-one.
What is the SMILES notation for 8-(dipropylamino)-1-oxido-6,7,8,9-tetrahydro-3H-benzo[g]indol-2-one?
The canonical SMILES for 8-(dipropylamino)-1-oxido-6,7,8,9-tetrahydro-3H-benzo[g]indol-2-one is CCCN(CCC)C1CCc2ccc3c(c2C1)N([O-])C(=O)C3.
What is the InChIKey of 8-(dipropylamino)-1-oxido-6,7,8,9-tetrahydro-3H-benzo[g]indol-2-one?
The InChIKey is QJEDLHKJVYTMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N2O2/c1-3-9-19(10-4-2)15-8-7-13-5-6-14-11-17(21)20(22)18(14)16(13)12-15/h5-6,15H,3-4,7-12H2,1-2H3/q-1.
What are the key properties of 8-(dipropylamino)-1-oxido-6,7,8,9-tetrahydro-3H-benzo[g]indol-2-one?
8-(dipropylamino)-1-oxido-6,7,8,9-tetrahydro-3H-benzo[g]indol-2-one has a molecular weight of 301.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dipropylamino)-1-oxido-6,7,8,9-tetrahydro-3H-benzo[g]indol-2-one is sourced from PubChem (CID 88703612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).