14-(aminomethyl)-4,5-dimethoxy-15-methyl-10-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-11-one

C19H26N2O3 — CID 78161966

IUPAC14-(aminomethyl)-4,5-dimethoxy-15-methyl-10-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-11-one
SMILESCOc1cc2c(cc1OC)C13CC(C)C(CN)C1CC(=O)N3CC2
InChIInChI=1S/C19H26N2O3/c1-11-9-19-14-7-17(24-3)16(23-2)6-12(14)4-5-21(19)18(22)8-15(19)13(11)10-20/h6-7,11,13,15H,4-5,8-10,20H2,1-3H3
InChIKeyYKCVJKJICIJURE-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.92
Rot. Bonds3

About 14-(aminomethyl)-4,5-dimethoxy-15-methyl-10-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-11-one

14-(aminomethyl)-4,5-dimethoxy-15-methyl-10-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-11-one (PubChem CID 78161966) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 14-(aminomethyl)-4,5-dimethoxy-15-methyl-10-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-11-one.

Molecular Properties

Compound Name14-(aminomethyl)-4,5-dimethoxy-15-methyl-10-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-11-one
PubChem CID78161966
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name14-(aminomethyl)-4,5-dimethoxy-15-methyl-10-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-11-one
SMILESCOc1cc2c(cc1OC)C13CC(C)C(CN)C1CC(=O)N3CC2
InChIInChI=1S/C19H26N2O3/c1-11-9-19-14-7-17(24-3)16(23-2)6-12(14)4-5-21(19)18(22)8-15(19)13(11)10-20/h6-7,11,13,15H,4-5,8-10,20H2,1-3H3
InChIKeyYKCVJKJICIJURE-UHFFFAOYSA-N
XLogP1.92
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,14S,15R,16S)-15-(aminomethyl)-4,5-dimethoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2,4,6-trien-12-one
CID 71730310
(1R,14S,15R,16S)-15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one
CID 71730306
(1S,13R)-4,5-dimethoxy-14-oxa-10-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-triene-11,15-dione
CID 11808847
methyl (1R,9S,13S,14R,15S)-4,5-dimethoxy-15-methyl-14-(nitromethyl)-11-oxo-10-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-triene-9-carboxylate
CID 71730571
8,9-dimethoxy-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
CID 15834177
4,5,16,17-tetramethoxy-12,24-diphenyl-10,12,22,24-tetrazahexacyclo[11.11.0.01,10.02,7.013,22.014,19]tetracosa-2,4,6,14,16,18-hexaene-11,23-dione
CID 101079633
1,1-dichloro-9b-(1-chloroethyl)-7,8-dimethoxy-4,5-dihydroazeto[2,1-a]isoquinolin-2-one
CID 11793180
methyl (2S,3R)-3-hydroxy-2-[[(1R,14S,15R,16S)-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carbonyl]amino]butanoate
CID 71731210
10b-butyl-8,9-dimethoxy-1,1,2-trimethyl-5,6-dihydroimidazo[5,1-a]isoquinolin-3-one
CID 102001951
methyl 11,12-dimethoxy-3,6-dioxo-1,2,4,5,8,9-hexahydroindolo[7a,1-a]isoquinoline-4a-carboxylate
CID 11632164
4-[(10bR)-8,9-dimethoxy-3-oxo-5,6-dihydropyrrolo[2,1-a]isoquinolin-10b-yl]butanal
CID 11324508
CID 102016574
CID 102016574

Frequently Asked Questions

What is the IUPAC name of 14-(aminomethyl)-4,5-dimethoxy-15-methyl-10-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-11-one?
The IUPAC name of 14-(aminomethyl)-4,5-dimethoxy-15-methyl-10-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-11-one (CID 78161966) is 14-(aminomethyl)-4,5-dimethoxy-15-methyl-10-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-11-one.
What is the SMILES notation for 14-(aminomethyl)-4,5-dimethoxy-15-methyl-10-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-11-one?
The canonical SMILES for 14-(aminomethyl)-4,5-dimethoxy-15-methyl-10-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-11-one is COc1cc2c(cc1OC)C13CC(C)C(CN)C1CC(=O)N3CC2.
What is the InChIKey of 14-(aminomethyl)-4,5-dimethoxy-15-methyl-10-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-11-one?
The InChIKey is YKCVJKJICIJURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-11-9-19-14-7-17(24-3)16(23-2)6-12(14)4-5-21(19)18(22)8-15(19)13(11)10-20/h6-7,11,13,15H,4-5,8-10,20H2,1-3H3.
What are the key properties of 14-(aminomethyl)-4,5-dimethoxy-15-methyl-10-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-11-one?
14-(aminomethyl)-4,5-dimethoxy-15-methyl-10-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-11-one has a molecular weight of 330.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(aminomethyl)-4,5-dimethoxy-15-methyl-10-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-11-one is sourced from PubChem (CID 78161966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).