14-methoxy-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione

C17H18N2O5 — CID 3763609

IUPAC14-methoxy-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione
SMILESCOc1cccc2c1OCC1COc3c(c(=O)n(C)c(=O)n3C)C21
InChIInChI=1S/C17H18N2O5/c1-18-15(20)13-12-9(8-24-16(13)19(2)17(18)21)7-23-14-10(12)5-4-6-11(14)22-3/h4-6,9,12H,7-8H2,1-3H3
InChIKeyBIGVZRKGMZDRJW-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.63
Rot. Bonds1

About 14-methoxy-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione

14-methoxy-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione (PubChem CID 3763609) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 14-methoxy-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione.

Molecular Properties

Compound Name14-methoxy-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione
PubChem CID3763609
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name14-methoxy-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione
SMILESCOc1cccc2c1OCC1COc3c(c(=O)n(C)c(=O)n3C)C21
InChIInChI=1S/C17H18N2O5/c1-18-15(20)13-12-9(8-24-16(13)19(2)17(18)21)7-23-14-10(12)5-4-6-11(14)22-3/h4-6,9,12H,7-8H2,1-3H3
InChIKeyBIGVZRKGMZDRJW-UHFFFAOYSA-N
XLogP0.63
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 14-methoxy-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione with MolForge

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Related Compounds

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CID 3744541
11-chloro-2,4-dimethyl-4,6a,7,12b-tetrahydro-1H,6H-chromeno[4',3':4,5]pyrano[2,3-d]pyrimidine-1,3(2H)-dione
CID 4522998
5-(3-methoxy-4-propoxyphenyl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 15989899
5-(2,3-dimethoxyphenyl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 3162458
(2S,11R)-5,7-dimethyl-9,13-dioxa-5,7-diazapentacyclo[12.8.0.0^{2,11}.0^{3,8}.0^{17,22}]docosa-1(14),3(8),15,17,19,21-hexaene-4,6-dione
CID 6610399
(2R,11R,14S)-5,7,10,10,14-pentamethyl-9,15-dioxa-5,7-diazapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),3(8),16,18,20-pentaene-4,6-dione
CID 57395648
5-(2-ethoxyphenyl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 3162457
5-(2-isopropoxyphenyl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 3162453
6,6-dimethyl-4,6a,7,12b-tetrahydro-1H,6H-chromeno[4',3':4,5]pyrano[2,3-d]pyrimidine-1,3(2H)-dione
CID 3291148
ethyl (1E)-N-[6-cyano-5-(2,3-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidin-7-yl]methanimidate
CID 171353244
(1R,10S)-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione
CID 1487157
5-(5-Ethoxy-3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1h-xanthen-9-yl)-1,3-dimethylpyrimidine-2,4,6(1h,3h,5h)-trione
CID 129842400

Frequently Asked Questions

What is the IUPAC name of 14-methoxy-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione?
The IUPAC name of 14-methoxy-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione (CID 3763609) is 14-methoxy-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione.
What is the SMILES notation for 14-methoxy-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione?
The canonical SMILES for 14-methoxy-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione is COc1cccc2c1OCC1COc3c(c(=O)n(C)c(=O)n3C)C21.
What is the InChIKey of 14-methoxy-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione?
The InChIKey is BIGVZRKGMZDRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-18-15(20)13-12-9(8-24-16(13)19(2)17(18)21)7-23-14-10(12)5-4-6-11(14)22-3/h4-6,9,12H,7-8H2,1-3H3.
What are the key properties of 14-methoxy-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione?
14-methoxy-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione has a molecular weight of 330.34 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methoxy-4,6-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13(18),14,16-tetraene-3,5-dione is sourced from PubChem (CID 3763609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).