(5S,9S)-15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,7,13,15-pentaen-5-ol

C19H23NO4 — CID 163032281

IUPAC(5S,9S)-15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,7,13,15-pentaen-5-ol
SMILESCOc1cc2c3c(c1OC)C1=CC[C@H](O)CC=C(O1)[C@H]3N(C)CC2
InChIInChI=1S/C19H23NO4/c1-20-9-8-11-10-15(22-2)19(23-3)17-13-6-4-12(21)5-7-14(24-13)18(20)16(11)17/h6-7,10,12,18,21H,4-5,8-9H2,1-3H3/t12-,18+/m0/s1
InChIKeyHVIMVQHOZNMSQC-KPZWWZAWSA-N
MW329.40 g/mol
LogP2.64
Rot. Bonds2

About (5S,9S)-15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,7,13,15-pentaen-5-ol

(5S,9S)-15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,7,13,15-pentaen-5-ol (PubChem CID 163032281) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is (5S,9S)-15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,7,13,15-pentaen-5-ol.

Molecular Properties

Compound Name(5S,9S)-15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,7,13,15-pentaen-5-ol
PubChem CID163032281
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name(5S,9S)-15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,7,13,15-pentaen-5-ol
SMILESCOc1cc2c3c(c1OC)C1=CC[C@H](O)CC=C(O1)[C@H]3N(C)CC2
InChIInChI=1S/C19H23NO4/c1-20-9-8-11-10-15(22-2)19(23-3)17-13-6-4-12(21)5-7-14(24-13)18(20)16(11)17/h6-7,10,12,18,21H,4-5,8-9H2,1-3H3/t12-,18+/m0/s1
InChIKeyHVIMVQHOZNMSQC-KPZWWZAWSA-N
XLogP2.64
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S,9S)-15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,7,13,15-pentaen-5-ol with MolForge

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Related Compounds

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9-chloro-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
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(2Z,5S,8R)-15,16-dimethoxy-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,9,13,15-pentaen-5-ol
CID 102388885
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Frequently Asked Questions

What is the IUPAC name of (5S,9S)-15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,7,13,15-pentaen-5-ol?
The IUPAC name of (5S,9S)-15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,7,13,15-pentaen-5-ol (CID 163032281) is (5S,9S)-15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,7,13,15-pentaen-5-ol.
What is the SMILES notation for (5S,9S)-15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,7,13,15-pentaen-5-ol?
The canonical SMILES for (5S,9S)-15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,7,13,15-pentaen-5-ol is COc1cc2c3c(c1OC)C1=CC[C@H](O)CC=C(O1)[C@H]3N(C)CC2.
What is the InChIKey of (5S,9S)-15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,7,13,15-pentaen-5-ol?
The InChIKey is HVIMVQHOZNMSQC-KPZWWZAWSA-N. The full InChI is InChI=1S/C19H23NO4/c1-20-9-8-11-10-15(22-2)19(23-3)17-13-6-4-12(21)5-7-14(24-13)18(20)16(11)17/h6-7,10,12,18,21H,4-5,8-9H2,1-3H3/t12-,18+/m0/s1.
What are the key properties of (5S,9S)-15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,7,13,15-pentaen-5-ol?
(5S,9S)-15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,7,13,15-pentaen-5-ol has a molecular weight of 329.40 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,7,13,15-pentaen-5-ol is sourced from PubChem (CID 163032281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).