8-methoxy-2-(9-methylpurin-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole

C18H18N6O — CID 163307818

IUPAC8-methoxy-2-(9-methylpurin-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCOc1ccc2[nH]c3c(c2c1)CN(c1ncc2ncn(C)c2n1)CC3
InChIInChI=1S/C18H18N6O/c1-23-10-20-16-8-19-18(22-17(16)23)24-6-5-15-13(9-24)12-7-11(25-2)3-4-14(12)21-15/h3-4,7-8,10,21H,5-6,9H2,1-2H3
InChIKeyMWMIUVMIDMQBKR-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.42
Rot. Bonds2

About 8-methoxy-2-(9-methylpurin-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole

8-methoxy-2-(9-methylpurin-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 163307818) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 8-methoxy-2-(9-methylpurin-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name8-methoxy-2-(9-methylpurin-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID163307818
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name8-methoxy-2-(9-methylpurin-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCOc1ccc2[nH]c3c(c2c1)CN(c1ncc2ncn(C)c2n1)CC3
InChIInChI=1S/C18H18N6O/c1-23-10-20-16-8-19-18(22-17(16)23)24-6-5-15-13(9-24)12-7-11(25-2)3-4-14(12)21-15/h3-4,7-8,10,21H,5-6,9H2,1-2H3
InChIKeyMWMIUVMIDMQBKR-UHFFFAOYSA-N
XLogP2.42
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-[2-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidin-4-yl]piperidin-3-ol
CID 135096444
[6-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-methylpyrimidin-4-yl]methanamine
CID 56702975
8-methoxy-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 113089353
(2R)-9-methoxy-2,3-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
CID 168957107
5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-methyl-1,2-oxazole
CID 77080360
(2S)-2-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
CID 97211115
(4-fluorophenyl)-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 4909744
8-methoxy-N-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 113089350
6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole
CID 65335451
5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 25296773
2-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146041786
8-ethoxy-2-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 16673120

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-(9-methylpurin-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 8-methoxy-2-(9-methylpurin-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 163307818) is 8-methoxy-2-(9-methylpurin-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 8-methoxy-2-(9-methylpurin-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 8-methoxy-2-(9-methylpurin-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole is COc1ccc2[nH]c3c(c2c1)CN(c1ncc2ncn(C)c2n1)CC3.
What is the InChIKey of 8-methoxy-2-(9-methylpurin-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is MWMIUVMIDMQBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-23-10-20-16-8-19-18(22-17(16)23)24-6-5-15-13(9-24)12-7-11(25-2)3-4-14(12)21-15/h3-4,7-8,10,21H,5-6,9H2,1-2H3.
What are the key properties of 8-methoxy-2-(9-methylpurin-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole?
8-methoxy-2-(9-methylpurin-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 334.38 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-(9-methylpurin-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 163307818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).