9-amino-6-methoxy-12-methyl-12-azatetracyclo[7.4.0.01,11.03,8]trideca-3(8),4,6-trien-10-one

C14H16N2O2 — CID 123595424

IUPAC9-amino-6-methoxy-12-methyl-12-azatetracyclo[7.4.0.01,11.03,8]trideca-3(8),4,6-trien-10-one
SMILESCOc1ccc2c(c1)C1(N)C(=O)C3N(C)CC31C2
InChIInChI=1S/C14H16N2O2/c1-16-7-13-6-8-3-4-9(18-2)5-10(8)14(13,15)12(17)11(13)16/h3-5,11H,6-7,15H2,1-2H3
InChIKeySMYGNZJDWTZUDY-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.29
Rot. Bonds1

About 9-amino-6-methoxy-12-methyl-12-azatetracyclo[7.4.0.01,11.03,8]trideca-3(8),4,6-trien-10-one

9-amino-6-methoxy-12-methyl-12-azatetracyclo[7.4.0.01,11.03,8]trideca-3(8),4,6-trien-10-one (PubChem CID 123595424) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 9-amino-6-methoxy-12-methyl-12-azatetracyclo[7.4.0.01,11.03,8]trideca-3(8),4,6-trien-10-one.

Molecular Properties

Compound Name9-amino-6-methoxy-12-methyl-12-azatetracyclo[7.4.0.01,11.03,8]trideca-3(8),4,6-trien-10-one
PubChem CID123595424
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name9-amino-6-methoxy-12-methyl-12-azatetracyclo[7.4.0.01,11.03,8]trideca-3(8),4,6-trien-10-one
SMILESCOc1ccc2c(c1)C1(N)C(=O)C3N(C)CC31C2
InChIInChI=1S/C14H16N2O2/c1-16-7-13-6-8-3-4-9(18-2)5-10(8)14(13,15)12(17)11(13)16/h3-5,11H,6-7,15H2,1-2H3
InChIKeySMYGNZJDWTZUDY-UHFFFAOYSA-N
XLogP0.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 45097545
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CID 14698185
5-methoxy-2-methyl-1,3-dihydroinden-2-amine
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7-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 84719792
ethane;13'-methoxy-3'-methylspiro[1,3-dioxolane-2,8'-3-azapentacyclo[8.7.1.01,4.05,10.011,16]octadeca-5,11(16),12,14-tetraene]
CID 144978620
(1R,9R,10R,13S)-4-methoxy-13,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 22212557
6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950918
(3aS,8bR)-8b-ethyl-7-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 122231230
(8bS)-7-methoxy-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 12518610
(2aS,7aS)-2,2-dichloro-4-methoxy-7,7a-dihydro-2aH-cyclobuta[a]inden-1-one
CID 10106484
(4aS,7aS,12bS)-11-methoxy-7-methyl-2,3,4,5,6,7a,8,12b-octahydro-1H-phenanthro[9,8a-b]pyrrole
CID 125471675
4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
CID 628652

Frequently Asked Questions

What is the IUPAC name of 9-amino-6-methoxy-12-methyl-12-azatetracyclo[7.4.0.01,11.03,8]trideca-3(8),4,6-trien-10-one?
The IUPAC name of 9-amino-6-methoxy-12-methyl-12-azatetracyclo[7.4.0.01,11.03,8]trideca-3(8),4,6-trien-10-one (CID 123595424) is 9-amino-6-methoxy-12-methyl-12-azatetracyclo[7.4.0.01,11.03,8]trideca-3(8),4,6-trien-10-one.
What is the SMILES notation for 9-amino-6-methoxy-12-methyl-12-azatetracyclo[7.4.0.01,11.03,8]trideca-3(8),4,6-trien-10-one?
The canonical SMILES for 9-amino-6-methoxy-12-methyl-12-azatetracyclo[7.4.0.01,11.03,8]trideca-3(8),4,6-trien-10-one is COc1ccc2c(c1)C1(N)C(=O)C3N(C)CC31C2.
What is the InChIKey of 9-amino-6-methoxy-12-methyl-12-azatetracyclo[7.4.0.01,11.03,8]trideca-3(8),4,6-trien-10-one?
The InChIKey is SMYGNZJDWTZUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16-7-13-6-8-3-4-9(18-2)5-10(8)14(13,15)12(17)11(13)16/h3-5,11H,6-7,15H2,1-2H3.
What are the key properties of 9-amino-6-methoxy-12-methyl-12-azatetracyclo[7.4.0.01,11.03,8]trideca-3(8),4,6-trien-10-one?
9-amino-6-methoxy-12-methyl-12-azatetracyclo[7.4.0.01,11.03,8]trideca-3(8),4,6-trien-10-one has a molecular weight of 244.29 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-6-methoxy-12-methyl-12-azatetracyclo[7.4.0.01,11.03,8]trideca-3(8),4,6-trien-10-one is sourced from PubChem (CID 123595424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).