methyl (7Z)-14-amino-18-methoxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate

C21H32N2O5 — CID 158882992

IUPACmethyl (7Z)-14-amino-18-methoxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
SMILESCOC(=O)C12CC(=O)C3CC(OC)CN3C(=O)C(N)CCCCC/C=C\C1C2
InChIInChI=1S/C21H32N2O5/c1-27-15-10-17-18(24)12-21(20(26)28-2)11-14(21)8-6-4-3-5-7-9-16(22)19(25)23(17)13-15/h6,8,14-17H,3-5,7,9-13,22H2,1-2H3/b8-6-
InChIKeyRUKYSGUCWNRHEH-VURMDHGXSA-N
MW392.50 g/mol
LogP1.59
Rot. Bonds2

About methyl (7Z)-14-amino-18-methoxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate

methyl (7Z)-14-amino-18-methoxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate (PubChem CID 158882992) has the molecular formula C21H32N2O5 and a molecular weight of 392.50 g/mol. Its IUPAC name is methyl (7Z)-14-amino-18-methoxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate.

Molecular Properties

Compound Namemethyl (7Z)-14-amino-18-methoxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
PubChem CID158882992
Molecular FormulaC21H32N2O5
Molecular Weight392.50 g/mol
Exact Mass392.23
IUPAC Namemethyl (7Z)-14-amino-18-methoxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
SMILESCOC(=O)C12CC(=O)C3CC(OC)CN3C(=O)C(N)CCCCC/C=C\C1C2
InChIInChI=1S/C21H32N2O5/c1-27-15-10-17-18(24)12-21(20(26)28-2)11-14(21)8-6-4-3-5-7-9-16(22)19(25)23(17)13-15/h6,8,14-17H,3-5,7,9-13,22H2,1-2H3/b8-6-
InChIKeyRUKYSGUCWNRHEH-VURMDHGXSA-N
XLogP1.59
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (7Z)-14-amino-18-methoxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate with MolForge

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Related Compounds

methyl (1S,4R,6S,7Z,14S,18R)-14-amino-18-(7-methoxy-2-phenylquinolin-4-yl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
CID 123715086
ethyl (1S,4R,6S,7Z,14S,18R)-14-amino-18-[(3-bromo-4-oxo-1H-quinolin-2-yl)oxy]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
CID 158486822
ethyl (1S,4R,6S,7Z,14S,18R)-14-amino-18-(7-ethenyl-6-methoxyisoquinolin-1-yl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate;hydrochloride
CID 162251488
(1S,4R,6R,7Z,14S,18R)-N-[3-(benzylamino)-3-oxopropyl]-18-methoxy-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
CID 58176990
[(1S,4R,6S,7Z,14S,18R)-14-amino-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;methanol
CID 123734483
ethyl (1S,4R,6R,7Z,14S,18R)-14-amino-18-[3-(3-bromophenyl)quinoxalin-2-yl]oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
CID 58275607
ethyl (1S,4R,6S,7Z,14S)-14-methyl-2,15,18-trioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
CID 162255595
methyl (1S,4R,14S,18R)-14-amino-18-(7-methoxy-2-methoxycarbonylquinolin-4-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
CID 91379626
ethyl (1S,4R,6S,7Z,14S,18R)-18-methoxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
CID 70316392
(1S,4R,6S,7Z,14S,18R)-14-amino-18-[7-methoxy-8-methyl-2-(2,2,2-trifluoroethoxy)quinolin-4-yl]oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
CID 158715915
ethyl (1S,4R,6S,7Z,14S,18R)-14-(3-fluoroanilino)-18-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
CID 58177126
[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-14-(dimethylamino)-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate
CID 148958557

Frequently Asked Questions

What is the IUPAC name of methyl (7Z)-14-amino-18-methoxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate?
The IUPAC name of methyl (7Z)-14-amino-18-methoxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate (CID 158882992) is methyl (7Z)-14-amino-18-methoxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate.
What is the SMILES notation for methyl (7Z)-14-amino-18-methoxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate?
The canonical SMILES for methyl (7Z)-14-amino-18-methoxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate is COC(=O)C12CC(=O)C3CC(OC)CN3C(=O)C(N)CCCCC/C=C\C1C2.
What is the InChIKey of methyl (7Z)-14-amino-18-methoxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate?
The InChIKey is RUKYSGUCWNRHEH-VURMDHGXSA-N. The full InChI is InChI=1S/C21H32N2O5/c1-27-15-10-17-18(24)12-21(20(26)28-2)11-14(21)8-6-4-3-5-7-9-16(22)19(25)23(17)13-15/h6,8,14-17H,3-5,7,9-13,22H2,1-2H3/b8-6-.
What are the key properties of methyl (7Z)-14-amino-18-methoxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate?
methyl (7Z)-14-amino-18-methoxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate has a molecular weight of 392.50 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7Z)-14-amino-18-methoxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate is sourced from PubChem (CID 158882992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).