(1R,4R,13S,14S)-13-methoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-triene-10,14-diol

C18H23NO4 — CID 162907796

IUPAC(1R,4R,13S,14S)-13-methoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-triene-10,14-diol
SMILESCO[C@]12C[C@@]3(CC[C@@H]1O)C[C@@H]1c4c(cc(O)c(c43)O2)CCN1C
InChIInChI=1S/C18H23NO4/c1-19-6-4-10-7-12(20)16-15-14(10)11(19)8-17(15)5-3-13(21)18(9-17,22-2)23-16/h7,11,13,20-21H,3-6,8-9H2,1-2H3/t11-,13+,17-,18+/m1/s1
InChIKeyQBOCZBFZMRLKDH-MWDQSAOVSA-N
MW317.39 g/mol
LogP1.84
Rot. Bonds1

About (1R,4R,13S,14S)-13-methoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-triene-10,14-diol

(1R,4R,13S,14S)-13-methoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-triene-10,14-diol (PubChem CID 162907796) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is (1R,4R,13S,14S)-13-methoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-triene-10,14-diol.

Molecular Properties

Compound Name(1R,4R,13S,14S)-13-methoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-triene-10,14-diol
PubChem CID162907796
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name(1R,4R,13S,14S)-13-methoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-triene-10,14-diol
SMILESCO[C@]12C[C@@]3(CC[C@@H]1O)C[C@@H]1c4c(cc(O)c(c43)O2)CCN1C
InChIInChI=1S/C18H23NO4/c1-19-6-4-10-7-12(20)16-15-14(10)11(19)8-17(15)5-3-13(21)18(9-17,22-2)23-16/h7,11,13,20-21H,3-6,8-9H2,1-2H3/t11-,13+,17-,18+/m1/s1
InChIKeyQBOCZBFZMRLKDH-MWDQSAOVSA-N
XLogP1.84
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R,4R,13S,14S)-13-methoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-triene-10,14-diol with MolForge

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Related Compounds

(1S,4S,13S,14S)-10,13-dimethoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-trien-14-ol
CID 138984579
(4S,5R,14S)-5,8-dimethoxy-13,13-dimethyl-6-oxa-13-azoniapentacyclo[8.6.2.11,5.07,17.014,18]nonadeca-7,9,17-trien-4-ol
CID 44658067
5,8-dimethoxy-13-methyl-13-oxido-6-oxa-13-azoniapentacyclo[8.6.2.11,5.07,17.014,18]nonadeca-7,9,17-trien-4-ol
CID 163192274
N-[(12R)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexane]-1'-ylidene]hydroxylamine
CID 825023
(6aS)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;hydrochloride
CID 45045237
(12S)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene-16,17-diol
CID 162817836
(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol;hydrobromide
CID 172885215
1,6,10-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
CID 71076138
(6-acetyloxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,1'-cyclopentane]-5-yl) acetate
CID 3047239
5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaen-6-ol
CID 14194058
3,4-dimethoxy-11,16-dimethyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaene-5,17-diol
CID 162988763
9-bromo-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
CID 20556264

Frequently Asked Questions

What is the IUPAC name of (1R,4R,13S,14S)-13-methoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-triene-10,14-diol?
The IUPAC name of (1R,4R,13S,14S)-13-methoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-triene-10,14-diol (CID 162907796) is (1R,4R,13S,14S)-13-methoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-triene-10,14-diol.
What is the SMILES notation for (1R,4R,13S,14S)-13-methoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-triene-10,14-diol?
The canonical SMILES for (1R,4R,13S,14S)-13-methoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-triene-10,14-diol is CO[C@]12C[C@@]3(CC[C@@H]1O)C[C@@H]1c4c(cc(O)c(c43)O2)CCN1C.
What is the InChIKey of (1R,4R,13S,14S)-13-methoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-triene-10,14-diol?
The InChIKey is QBOCZBFZMRLKDH-MWDQSAOVSA-N. The full InChI is InChI=1S/C18H23NO4/c1-19-6-4-10-7-12(20)16-15-14(10)11(19)8-17(15)5-3-13(21)18(9-17,22-2)23-16/h7,11,13,20-21H,3-6,8-9H2,1-2H3/t11-,13+,17-,18+/m1/s1.
What are the key properties of (1R,4R,13S,14S)-13-methoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-triene-10,14-diol?
(1R,4R,13S,14S)-13-methoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-triene-10,14-diol has a molecular weight of 317.39 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,13S,14S)-13-methoxy-5-methyl-12-oxa-5-azapentacyclo[11.3.1.11,4.02,11.03,8]octadeca-2,8,10-triene-10,14-diol is sourced from PubChem (CID 162907796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).