4-[4-(dipropylamino)-3-methylisoquinolin-1-yl]-1,3-dihydroindol-2-one

C24H27N3O — CID 58994666

IUPAC4-[4-(dipropylamino)-3-methylisoquinolin-1-yl]-1,3-dihydroindol-2-one
SMILESCCCN(CCC)c1c(C)nc(-c2cccc3c2CC(=O)N3)c2ccccc12
InChIInChI=1S/C24H27N3O/c1-4-13-27(14-5-2)24-16(3)25-23(17-9-6-7-10-19(17)24)18-11-8-12-21-20(18)15-22(28)26-21/h6-12H,4-5,13-15H2,1-3H3,(H,26,28)
InChIKeyNNDKAMDEDDMMSS-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.33
Rot. Bonds6

About 4-[4-(dipropylamino)-3-methylisoquinolin-1-yl]-1,3-dihydroindol-2-one

4-[4-(dipropylamino)-3-methylisoquinolin-1-yl]-1,3-dihydroindol-2-one (PubChem CID 58994666) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-[4-(dipropylamino)-3-methylisoquinolin-1-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[4-(dipropylamino)-3-methylisoquinolin-1-yl]-1,3-dihydroindol-2-one
PubChem CID58994666
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name4-[4-(dipropylamino)-3-methylisoquinolin-1-yl]-1,3-dihydroindol-2-one
SMILESCCCN(CCC)c1c(C)nc(-c2cccc3c2CC(=O)N3)c2ccccc12
InChIInChI=1S/C24H27N3O/c1-4-13-27(14-5-2)24-16(3)25-23(17-9-6-7-10-19(17)24)18-11-8-12-21-20(18)15-22(28)26-21/h6-12H,4-5,13-15H2,1-3H3,(H,26,28)
InChIKeyNNDKAMDEDDMMSS-UHFFFAOYSA-N
XLogP5.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dipropylamino)-3-methylisoquinolin-1-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 4-[4-(dipropylamino)-3-methylisoquinolin-1-yl]-1,3-dihydroindol-2-one (CID 58994666) is 4-[4-(dipropylamino)-3-methylisoquinolin-1-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[4-(dipropylamino)-3-methylisoquinolin-1-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[4-(dipropylamino)-3-methylisoquinolin-1-yl]-1,3-dihydroindol-2-one is CCCN(CCC)c1c(C)nc(-c2cccc3c2CC(=O)N3)c2ccccc12.
What is the InChIKey of 4-[4-(dipropylamino)-3-methylisoquinolin-1-yl]-1,3-dihydroindol-2-one?
The InChIKey is NNDKAMDEDDMMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-4-13-27(14-5-2)24-16(3)25-23(17-9-6-7-10-19(17)24)18-11-8-12-21-20(18)15-22(28)26-21/h6-12H,4-5,13-15H2,1-3H3,(H,26,28).
What are the key properties of 4-[4-(dipropylamino)-3-methylisoquinolin-1-yl]-1,3-dihydroindol-2-one?
4-[4-(dipropylamino)-3-methylisoquinolin-1-yl]-1,3-dihydroindol-2-one has a molecular weight of 373.50 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dipropylamino)-3-methylisoquinolin-1-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 58994666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).