9-(4-morpholin-4-ylbutylamino)-6,11-dihydroindeno[1,2-c]isoquinolin-5-one

C24H27N3O2 — CID 68900828

IUPAC9-(4-morpholin-4-ylbutylamino)-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
SMILESO=c1[nH]c2c(c3ccccc13)Cc1cc(NCCCCN3CCOCC3)ccc1-2
InChIInChI=1S/C24H27N3O2/c28-24-21-6-2-1-5-20(21)22-16-17-15-18(7-8-19(17)23(22)26-24)25-9-3-4-10-27-11-13-29-14-12-27/h1-2,5-8,15,25H,3-4,9-14,16H2,(H,26,28)
InChIKeyGFTVIWZLLVVGFQ-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.62
Rot. Bonds6

About 9-(4-morpholin-4-ylbutylamino)-6,11-dihydroindeno[1,2-c]isoquinolin-5-one

9-(4-morpholin-4-ylbutylamino)-6,11-dihydroindeno[1,2-c]isoquinolin-5-one (PubChem CID 68900828) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 9-(4-morpholin-4-ylbutylamino)-6,11-dihydroindeno[1,2-c]isoquinolin-5-one.

Molecular Properties

Compound Name9-(4-morpholin-4-ylbutylamino)-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
PubChem CID68900828
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name9-(4-morpholin-4-ylbutylamino)-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
SMILESO=c1[nH]c2c(c3ccccc13)Cc1cc(NCCCCN3CCOCC3)ccc1-2
InChIInChI=1S/C24H27N3O2/c28-24-21-6-2-1-5-20(21)22-16-17-15-18(7-8-19(17)23(22)26-24)25-9-3-4-10-27-11-13-29-14-12-27/h1-2,5-8,15,25H,3-4,9-14,16H2,(H,26,28)
InChIKeyGFTVIWZLLVVGFQ-UHFFFAOYSA-N
XLogP3.62
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-(4-morpholin-4-ylbutylamino)-6,11-dihydroindeno[1,2-c]isoquinolin-5-one with MolForge

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Related Compounds

N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
CID 11157496
3-(3-morpholin-4-ylpropylamino)xanthen-9-one
CID 24792642
N-(3-morpholin-4-ylpropyl)-6-oxo-5H-phenanthridine-3-carboxamide
CID 67424998
N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide
CID 10132635
2-methyl-6-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 137308278
8-methyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
CID 58772534
1-methyl-5-(2-morpholin-4-ylethylamino)-3H-indol-2-one
CID 98033832
N-(9H-carbazol-2-yl)-4-morpholin-4-ylbutanamide
CID 91294908
2-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 136779605
1-(5-methylthiophen-2-yl)sulfonyl-3-[4-[6-(3-morpholin-4-ylpropylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea
CID 71072466
1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 151335568
2-amino-5-(3-morpholin-4-ylpropylamino)benzonitrile
CID 115499071

Frequently Asked Questions

What is the IUPAC name of 9-(4-morpholin-4-ylbutylamino)-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The IUPAC name of 9-(4-morpholin-4-ylbutylamino)-6,11-dihydroindeno[1,2-c]isoquinolin-5-one (CID 68900828) is 9-(4-morpholin-4-ylbutylamino)-6,11-dihydroindeno[1,2-c]isoquinolin-5-one.
What is the SMILES notation for 9-(4-morpholin-4-ylbutylamino)-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The canonical SMILES for 9-(4-morpholin-4-ylbutylamino)-6,11-dihydroindeno[1,2-c]isoquinolin-5-one is O=c1[nH]c2c(c3ccccc13)Cc1cc(NCCCCN3CCOCC3)ccc1-2.
What is the InChIKey of 9-(4-morpholin-4-ylbutylamino)-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The InChIKey is GFTVIWZLLVVGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c28-24-21-6-2-1-5-20(21)22-16-17-15-18(7-8-19(17)23(22)26-24)25-9-3-4-10-27-11-13-29-14-12-27/h1-2,5-8,15,25H,3-4,9-14,16H2,(H,26,28).
What are the key properties of 9-(4-morpholin-4-ylbutylamino)-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
9-(4-morpholin-4-ylbutylamino)-6,11-dihydroindeno[1,2-c]isoquinolin-5-one has a molecular weight of 389.50 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-morpholin-4-ylbutylamino)-6,11-dihydroindeno[1,2-c]isoquinolin-5-one is sourced from PubChem (CID 68900828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).