(5Z)-5-(aminomethylidene)-1'-[(5-methylfuran-2-yl)methyl]spiro[6,7-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-8,3'-indole]-2'-one

C24H21N3O4 — CID 143657303

IUPAC(5Z)-5-(aminomethylidene)-1'-[(5-methylfuran-2-yl)methyl]spiro[6,7-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-8,3'-indole]-2'-one
SMILESCc1ccc(CN2C(=O)C3(CN/C(=C\N)c4cc5c(cc43)OCO5)c3ccccc32)o1
InChIInChI=1S/C24H21N3O4/c1-14-6-7-15(31-14)11-27-20-5-3-2-4-17(20)24(23(27)28)12-26-19(10-25)16-8-21-22(9-18(16)24)30-13-29-21/h2-10,26H,11-13,25H2,1H3/b19-10-
InChIKeyDLDBMGNMMNSCNE-GRSHGNNSSA-N
MW415.45 g/mol
LogP3.01
Rot. Bonds2

About (5Z)-5-(aminomethylidene)-1'-[(5-methylfuran-2-yl)methyl]spiro[6,7-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-8,3'-indole]-2'-one

(5Z)-5-(aminomethylidene)-1'-[(5-methylfuran-2-yl)methyl]spiro[6,7-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-8,3'-indole]-2'-one (PubChem CID 143657303) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is (5Z)-5-(aminomethylidene)-1'-[(5-methylfuran-2-yl)methyl]spiro[6,7-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-8,3'-indole]-2'-one.

Molecular Properties

Compound Name(5Z)-5-(aminomethylidene)-1'-[(5-methylfuran-2-yl)methyl]spiro[6,7-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-8,3'-indole]-2'-one
PubChem CID143657303
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name(5Z)-5-(aminomethylidene)-1'-[(5-methylfuran-2-yl)methyl]spiro[6,7-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-8,3'-indole]-2'-one
SMILESCc1ccc(CN2C(=O)C3(CN/C(=C\N)c4cc5c(cc43)OCO5)c3ccccc32)o1
InChIInChI=1S/C24H21N3O4/c1-14-6-7-15(31-14)11-27-20-5-3-2-4-17(20)24(23(27)28)12-26-19(10-25)16-8-21-22(9-18(16)24)30-13-29-21/h2-10,26H,11-13,25H2,1H3/b19-10-
InChIKeyDLDBMGNMMNSCNE-GRSHGNNSSA-N
XLogP3.01
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5Z)-5-(aminomethylidene)-1'-[(5-methylfuran-2-yl)methyl]spiro[6,7-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-8,3'-indole]-2'-one with MolForge

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Related Compounds

1'-[(5-methylfuran-2-yl)methyl]-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 58468033
1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 51357549
1'-[[5-(2-chlorophenyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263532
(7R)-1'-pentylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,3'-indole]-2',5-dione
CID 166449110
1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride
CID 66642329
1'-(thiophen-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263336
4'-methyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263526
1'-[(6-methoxy-3-pyridinyl)methyl]spiro[12,14-dioxa-3,4,5,6-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,9,11(15)-tetraene-8,3'-indole]-2'-one
CID 25224973
methyl 5-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]furan-2-carboxylate
CID 59352736
1'-[(2-oxo-1,3-oxazolidin-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 68600551
1'-[(6-oxo-1H-pyridin-3-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263375
5-amino-1'-benzyl-6-iminospiro[7H-[1,3]dioxolo[4,5-g]quinoline-8,3'-indole]-2'-one
CID 89277850

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(aminomethylidene)-1'-[(5-methylfuran-2-yl)methyl]spiro[6,7-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-8,3'-indole]-2'-one?
The IUPAC name of (5Z)-5-(aminomethylidene)-1'-[(5-methylfuran-2-yl)methyl]spiro[6,7-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-8,3'-indole]-2'-one (CID 143657303) is (5Z)-5-(aminomethylidene)-1'-[(5-methylfuran-2-yl)methyl]spiro[6,7-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-8,3'-indole]-2'-one.
What is the SMILES notation for (5Z)-5-(aminomethylidene)-1'-[(5-methylfuran-2-yl)methyl]spiro[6,7-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-8,3'-indole]-2'-one?
The canonical SMILES for (5Z)-5-(aminomethylidene)-1'-[(5-methylfuran-2-yl)methyl]spiro[6,7-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-8,3'-indole]-2'-one is Cc1ccc(CN2C(=O)C3(CN/C(=C\N)c4cc5c(cc43)OCO5)c3ccccc32)o1.
What is the InChIKey of (5Z)-5-(aminomethylidene)-1'-[(5-methylfuran-2-yl)methyl]spiro[6,7-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-8,3'-indole]-2'-one?
The InChIKey is DLDBMGNMMNSCNE-GRSHGNNSSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-14-6-7-15(31-14)11-27-20-5-3-2-4-17(20)24(23(27)28)12-26-19(10-25)16-8-21-22(9-18(16)24)30-13-29-21/h2-10,26H,11-13,25H2,1H3/b19-10-.
What are the key properties of (5Z)-5-(aminomethylidene)-1'-[(5-methylfuran-2-yl)methyl]spiro[6,7-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-8,3'-indole]-2'-one?
(5Z)-5-(aminomethylidene)-1'-[(5-methylfuran-2-yl)methyl]spiro[6,7-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-8,3'-indole]-2'-one has a molecular weight of 415.45 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(aminomethylidene)-1'-[(5-methylfuran-2-yl)methyl]spiro[6,7-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-8,3'-indole]-2'-one is sourced from PubChem (CID 143657303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).