(1S,6R,14R)-9-methoxy-7-oxa-16-azapentacyclo[10.6.1.01,6.02,14.08,19]nonadeca-3,8,10,12(19)-tetraen-5-ol

C18H21NO3 — CID 146488110

IUPAC(1S,6R,14R)-9-methoxy-7-oxa-16-azapentacyclo[10.6.1.01,6.02,14.08,19]nonadeca-3,8,10,12(19)-tetraen-5-ol
SMILESCOc1ccc2c3c1O[C@H]1C(O)C=CC4[C@H](CNCC[C@@]341)C2
InChIInChI=1S/C18H21NO3/c1-21-14-5-2-10-8-11-9-19-7-6-18-12(11)3-4-13(20)17(18)22-16(14)15(10)18/h2-5,11-13,17,19-20H,6-9H2,1H3/t11-,12?,13?,17-,18-/m0/s1
InChIKeyRMPWBOOZQRUQTR-XVXZUDHESA-N
MW299.37 g/mol
LogP1.41
Rot. Bonds1

About (1S,6R,14R)-9-methoxy-7-oxa-16-azapentacyclo[10.6.1.01,6.02,14.08,19]nonadeca-3,8,10,12(19)-tetraen-5-ol

(1S,6R,14R)-9-methoxy-7-oxa-16-azapentacyclo[10.6.1.01,6.02,14.08,19]nonadeca-3,8,10,12(19)-tetraen-5-ol (PubChem CID 146488110) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (1S,6R,14R)-9-methoxy-7-oxa-16-azapentacyclo[10.6.1.01,6.02,14.08,19]nonadeca-3,8,10,12(19)-tetraen-5-ol.

Molecular Properties

Compound Name(1S,6R,14R)-9-methoxy-7-oxa-16-azapentacyclo[10.6.1.01,6.02,14.08,19]nonadeca-3,8,10,12(19)-tetraen-5-ol
PubChem CID146488110
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(1S,6R,14R)-9-methoxy-7-oxa-16-azapentacyclo[10.6.1.01,6.02,14.08,19]nonadeca-3,8,10,12(19)-tetraen-5-ol
SMILESCOc1ccc2c3c1O[C@H]1C(O)C=CC4[C@H](CNCC[C@@]341)C2
InChIInChI=1S/C18H21NO3/c1-21-14-5-2-10-8-11-9-19-7-6-18-12(11)3-4-13(20)17(18)22-16(14)15(10)18/h2-5,11-13,17,19-20H,6-9H2,1H3/t11-,12?,13?,17-,18-/m0/s1
InChIKeyRMPWBOOZQRUQTR-XVXZUDHESA-N
XLogP1.41
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,6R,14R)-9-methoxy-7-oxa-16-azapentacyclo[10.6.1.01,6.02,14.08,19]nonadeca-3,8,10,12(19)-tetraen-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
CID 90685762
(7S,7aR)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrobromide
CID 24840157
7-hydroxy-9-methoxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-carbaldehyde
CID 14357532
bis(9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol);sulfuric acid
CID 78387788
(1S,4R,12R,13S)-11-oxapentacyclo[8.6.1.01,12.04,16.06,17]heptadeca-6(17),7,9,14-tetraene-9,13-diol
CID 142881385
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-prop-2-enyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrobromide
CID 5486631
(4R,4aR,12bS)-7-deuteriooxy-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 59666562
(4R,4aR,12bS)-4,13,13-trideuterio-9-methoxy-3-methyl-2,4a,7,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
CID 59666785
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;benzoic acid
CID 67579554
(4R,4aR,7S,7aR,12bS)-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;iodomethane
CID 70348776
(4R,4aR,7S,7aR,12bS)-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;hydrochloride
CID 21124389
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;2-hydroxybenzoic acid
CID 68657332

Frequently Asked Questions

What is the IUPAC name of (1S,6R,14R)-9-methoxy-7-oxa-16-azapentacyclo[10.6.1.01,6.02,14.08,19]nonadeca-3,8,10,12(19)-tetraen-5-ol?
The IUPAC name of (1S,6R,14R)-9-methoxy-7-oxa-16-azapentacyclo[10.6.1.01,6.02,14.08,19]nonadeca-3,8,10,12(19)-tetraen-5-ol (CID 146488110) is (1S,6R,14R)-9-methoxy-7-oxa-16-azapentacyclo[10.6.1.01,6.02,14.08,19]nonadeca-3,8,10,12(19)-tetraen-5-ol.
What is the SMILES notation for (1S,6R,14R)-9-methoxy-7-oxa-16-azapentacyclo[10.6.1.01,6.02,14.08,19]nonadeca-3,8,10,12(19)-tetraen-5-ol?
The canonical SMILES for (1S,6R,14R)-9-methoxy-7-oxa-16-azapentacyclo[10.6.1.01,6.02,14.08,19]nonadeca-3,8,10,12(19)-tetraen-5-ol is COc1ccc2c3c1O[C@H]1C(O)C=CC4[C@H](CNCC[C@@]341)C2.
What is the InChIKey of (1S,6R,14R)-9-methoxy-7-oxa-16-azapentacyclo[10.6.1.01,6.02,14.08,19]nonadeca-3,8,10,12(19)-tetraen-5-ol?
The InChIKey is RMPWBOOZQRUQTR-XVXZUDHESA-N. The full InChI is InChI=1S/C18H21NO3/c1-21-14-5-2-10-8-11-9-19-7-6-18-12(11)3-4-13(20)17(18)22-16(14)15(10)18/h2-5,11-13,17,19-20H,6-9H2,1H3/t11-,12?,13?,17-,18-/m0/s1.
What are the key properties of (1S,6R,14R)-9-methoxy-7-oxa-16-azapentacyclo[10.6.1.01,6.02,14.08,19]nonadeca-3,8,10,12(19)-tetraen-5-ol?
(1S,6R,14R)-9-methoxy-7-oxa-16-azapentacyclo[10.6.1.01,6.02,14.08,19]nonadeca-3,8,10,12(19)-tetraen-5-ol has a molecular weight of 299.37 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R,14R)-9-methoxy-7-oxa-16-azapentacyclo[10.6.1.01,6.02,14.08,19]nonadeca-3,8,10,12(19)-tetraen-5-ol is sourced from PubChem (CID 146488110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).