12-methoxy-2-methylspiro[4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene-3,1'-cyclohexane]-5-one

C20H24N2O3 — CID 4912890

IUPAC12-methoxy-2-methylspiro[4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene-3,1'-cyclohexane]-5-one
SMILESCOc1ccc2[nH]c3c(c2c1)CCN1C(=O)OC2(CCCCC2)C31C
InChIInChI=1S/C20H24N2O3/c1-19-17-14(15-12-13(24-2)6-7-16(15)21-17)8-11-22(19)18(23)25-20(19)9-4-3-5-10-20/h6-7,12,21H,3-5,8-11H2,1-2H3
InChIKeyZZADIDGAGAJHPR-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.10
Rot. Bonds1

About 12-methoxy-2-methylspiro[4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene-3,1'-cyclohexane]-5-one

12-methoxy-2-methylspiro[4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene-3,1'-cyclohexane]-5-one (PubChem CID 4912890) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 12-methoxy-2-methylspiro[4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene-3,1'-cyclohexane]-5-one.

Molecular Properties

Compound Name12-methoxy-2-methylspiro[4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene-3,1'-cyclohexane]-5-one
PubChem CID4912890
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name12-methoxy-2-methylspiro[4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene-3,1'-cyclohexane]-5-one
SMILESCOc1ccc2[nH]c3c(c2c1)CCN1C(=O)OC2(CCCCC2)C31C
InChIInChI=1S/C20H24N2O3/c1-19-17-14(15-12-13(24-2)6-7-16(15)21-17)8-11-22(19)18(23)25-20(19)9-4-3-5-10-20/h6-7,12,21H,3-5,8-11H2,1-2H3
InChIKeyZZADIDGAGAJHPR-UHFFFAOYSA-N
XLogP4.10
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 12-methoxy-2-methylspiro[4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene-3,1'-cyclohexane]-5-one with MolForge

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Related Compounds

(2R)-12-methoxy-2-methyl-5λ6-thia-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene 5,5-dioxide
CID 134949218
(2S,3R)-3-ethyl-2,3,12-trimethyl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-5-one
CID 7358795
(1S)-7-methoxy-1-methyl-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-2(10),4(9),5,7,16,18,20-heptaen-14-one
CID 139092958
6-methoxy-1-methyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid
CID 84742547
(2R)-13-methoxy-2-methyl-4-propyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-3,6-dione
CID 908634
6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]
CID 17339270
(2S)-13-methoxy-4-(2-methoxyethyl)-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-3,6-dione
CID 6576185
6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole
CID 65335451
(2S)-12-methoxy-2-methyl-4-(3-methylphenyl)-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene-3,5-dione
CID 7091133
methyl 4,5-dimethoxy-2-[(2S)-12-methoxy-2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-4-yl]benzoate
CID 6570979
12-methoxy-2-methyl-4-(4-methylphenyl)sulfonyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene-3,5-dione
CID 3803519
13-methoxy-2-methyl-4-pentyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-3,6-dione
CID 3843050

Frequently Asked Questions

What is the IUPAC name of 12-methoxy-2-methylspiro[4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene-3,1'-cyclohexane]-5-one?
The IUPAC name of 12-methoxy-2-methylspiro[4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene-3,1'-cyclohexane]-5-one (CID 4912890) is 12-methoxy-2-methylspiro[4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene-3,1'-cyclohexane]-5-one.
What is the SMILES notation for 12-methoxy-2-methylspiro[4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene-3,1'-cyclohexane]-5-one?
The canonical SMILES for 12-methoxy-2-methylspiro[4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene-3,1'-cyclohexane]-5-one is COc1ccc2[nH]c3c(c2c1)CCN1C(=O)OC2(CCCCC2)C31C.
What is the InChIKey of 12-methoxy-2-methylspiro[4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene-3,1'-cyclohexane]-5-one?
The InChIKey is ZZADIDGAGAJHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-19-17-14(15-12-13(24-2)6-7-16(15)21-17)8-11-22(19)18(23)25-20(19)9-4-3-5-10-20/h6-7,12,21H,3-5,8-11H2,1-2H3.
What are the key properties of 12-methoxy-2-methylspiro[4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene-3,1'-cyclohexane]-5-one?
12-methoxy-2-methylspiro[4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene-3,1'-cyclohexane]-5-one has a molecular weight of 340.42 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methoxy-2-methylspiro[4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene-3,1'-cyclohexane]-5-one is sourced from PubChem (CID 4912890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).