2-(4-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-5-yl)ethanone

C20H20N2O — CID 139838453

IUPAC2-(4-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-5-yl)ethanone
SMILESCc1ccc(CC(=O)C2CCCc3[nH]c4ncccc4c32)cc1
InChIInChI=1S/C20H20N2O/c1-13-7-9-14(10-8-13)12-18(23)15-4-2-6-17-19(15)16-5-3-11-21-20(16)22-17/h3,5,7-11,15H,2,4,6,12H2,1H3,(H,21,22)
InChIKeyOLBDUVRVMTWXIN-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.10
Rot. Bonds3

About 2-(4-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-5-yl)ethanone

2-(4-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-5-yl)ethanone (PubChem CID 139838453) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-5-yl)ethanone
PubChem CID139838453
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name2-(4-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-5-yl)ethanone
SMILESCc1ccc(CC(=O)C2CCCc3[nH]c4ncccc4c32)cc1
InChIInChI=1S/C20H20N2O/c1-13-7-9-14(10-8-13)12-18(23)15-4-2-6-17-19(15)16-5-3-11-21-20(16)22-17/h3,5,7-11,15H,2,4,6,12H2,1H3,(H,21,22)
InChIKeyOLBDUVRVMTWXIN-UHFFFAOYSA-N
XLogP4.10
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-5-yl)ethanone with MolForge

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Related Compounds

2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79745952
2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79746027
1-cyclobutyl-2-(4-methylphenyl)ethanone
CID 61080102
3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 84681730
N-methyl-N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 154858407
1-cycloheptyl-2-(4-methylphenyl)ethanone
CID 62589073
1-cyclooctyl-2-(4-methylphenyl)ethanone
CID 65018872
9-[(4-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide
CID 167090949
2-(4-methylphenyl)-1-piperidin-4-ylethanone
CID 82079035
2-(4-methylphenyl)-N-[(1R)-2-oxocyclopentyl]acetamide
CID 58413553
1-(2-methylcyclopentyl)-2-(4-methylphenyl)ethanone
CID 107179336
N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 119035768

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-5-yl)ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-5-yl)ethanone (CID 139838453) is 2-(4-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-5-yl)ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-5-yl)ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-5-yl)ethanone is Cc1ccc(CC(=O)C2CCCc3[nH]c4ncccc4c32)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-5-yl)ethanone?
The InChIKey is OLBDUVRVMTWXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-13-7-9-14(10-8-13)12-18(23)15-4-2-6-17-19(15)16-5-3-11-21-20(16)22-17/h3,5,7-11,15H,2,4,6,12H2,1H3,(H,21,22).
What are the key properties of 2-(4-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-5-yl)ethanone?
2-(4-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-5-yl)ethanone has a molecular weight of 304.39 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-5-yl)ethanone is sourced from PubChem (CID 139838453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).