1-(6-amino-5-methoxy-9-methyl-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-13-yl)ethanone

C18H20N4O2 — CID 14468467

IUPAC1-(6-amino-5-methoxy-9-methyl-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-13-yl)ethanone
SMILESCOc1ccc2c(nc(C)c3c4c([nH]c32)CCN(C(C)=O)C4)c1N
InChIInChI=1S/C18H20N4O2/c1-9-15-12-8-22(10(2)23)7-6-13(12)21-17(15)11-4-5-14(24-3)16(19)18(11)20-9/h4-5,21H,6-8,19H2,1-3H3
InChIKeyHPIXCTAYHFHRJH-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.52
Rot. Bonds1

About 1-(6-amino-5-methoxy-9-methyl-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-13-yl)ethanone

1-(6-amino-5-methoxy-9-methyl-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-13-yl)ethanone (PubChem CID 14468467) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(6-amino-5-methoxy-9-methyl-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-13-yl)ethanone.

Molecular Properties

Compound Name1-(6-amino-5-methoxy-9-methyl-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-13-yl)ethanone
PubChem CID14468467
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-(6-amino-5-methoxy-9-methyl-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-13-yl)ethanone
SMILESCOc1ccc2c(nc(C)c3c4c([nH]c32)CCN(C(C)=O)C4)c1N
InChIInChI=1S/C18H20N4O2/c1-9-15-12-8-22(10(2)23)7-6-13(12)21-17(15)11-4-5-14(24-3)16(19)18(11)20-9/h4-5,21H,6-8,19H2,1-3H3
InChIKeyHPIXCTAYHFHRJH-UHFFFAOYSA-N
XLogP2.52
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(6-amino-5-methoxy-9-methyl-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-13-yl)ethanone with MolForge

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Related Compounds

5-methoxy-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-6-amine
CID 14468468
cyclopropyl-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 110667876
(3,4-dimethoxyphenyl)-(7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 113089557
(3,4-dimethoxyphenyl)-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 4839273
methyl 2-acetyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridine-7-carboxylate
CID 166488527
2-acetyl-N-[(2-methoxyphenyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide
CID 53137800
(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-pyridin-2-ylmethanone
CID 110667856
2-ethyl-1-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-1-one
CID 110667883
1-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3,3-dimethylbutan-1-one
CID 110667927
1-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(3-methylphenoxy)ethanone
CID 110667941
1-(5-amino-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 115023573
(2,6-dimethoxyphenyl)-(2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)methanone
CID 84579345

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-methoxy-9-methyl-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-13-yl)ethanone?
The IUPAC name of 1-(6-amino-5-methoxy-9-methyl-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-13-yl)ethanone (CID 14468467) is 1-(6-amino-5-methoxy-9-methyl-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-13-yl)ethanone.
What is the SMILES notation for 1-(6-amino-5-methoxy-9-methyl-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-13-yl)ethanone?
The canonical SMILES for 1-(6-amino-5-methoxy-9-methyl-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-13-yl)ethanone is COc1ccc2c(nc(C)c3c4c([nH]c32)CCN(C(C)=O)C4)c1N.
What is the InChIKey of 1-(6-amino-5-methoxy-9-methyl-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-13-yl)ethanone?
The InChIKey is HPIXCTAYHFHRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-9-15-12-8-22(10(2)23)7-6-13(12)21-17(15)11-4-5-14(24-3)16(19)18(11)20-9/h4-5,21H,6-8,19H2,1-3H3.
What are the key properties of 1-(6-amino-5-methoxy-9-methyl-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-13-yl)ethanone?
1-(6-amino-5-methoxy-9-methyl-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-13-yl)ethanone has a molecular weight of 324.38 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-methoxy-9-methyl-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-13-yl)ethanone is sourced from PubChem (CID 14468467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).