1-(6-methoxy-4,9-dimethylpyrido[2,3-b]indol-2-yl)ethanone

C16H16N2O2 — CID 135060319

IUPAC1-(6-methoxy-4,9-dimethylpyrido[2,3-b]indol-2-yl)ethanone
SMILESCOc1ccc2c(c1)c1c(C)cc(C(C)=O)nc1n2C
InChIInChI=1S/C16H16N2O2/c1-9-7-13(10(2)19)17-16-15(9)12-8-11(20-4)5-6-14(12)18(16)3/h5-8H,1-4H3
InChIKeyTYVMLILXNWNTAE-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.25
Rot. Bonds2

About 1-(6-methoxy-4,9-dimethylpyrido[2,3-b]indol-2-yl)ethanone

1-(6-methoxy-4,9-dimethylpyrido[2,3-b]indol-2-yl)ethanone (PubChem CID 135060319) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(6-methoxy-4,9-dimethylpyrido[2,3-b]indol-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-methoxy-4,9-dimethylpyrido[2,3-b]indol-2-yl)ethanone
PubChem CID135060319
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-(6-methoxy-4,9-dimethylpyrido[2,3-b]indol-2-yl)ethanone
SMILESCOc1ccc2c(c1)c1c(C)cc(C(C)=O)nc1n2C
InChIInChI=1S/C16H16N2O2/c1-9-7-13(10(2)19)17-16-15(9)12-8-11(20-4)5-6-14(12)18(16)3/h5-8H,1-4H3
InChIKeyTYVMLILXNWNTAE-UHFFFAOYSA-N
XLogP3.25
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxy-4-methylquinolin-2-yl)ethanone
CID 82576202
N,N-diethyl-2-[(8-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
CID 3216529
1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone
CID 135060121
1-(4-methyl-9-phenylpyrido[2,3-b]indol-2-yl)ethanone
CID 135059905
1-(6-methoxy-2,10,12-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaen-10-yl)ethanone
CID 4605935
1-(5-methoxy-1,2-dimethylindol-3-yl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]sulfanylethanone
CID 3429472
8-methoxy-5-methyl-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole
CID 649707
5-methoxy-1-methylindazole-3-carboxylic acid
CID 45141403
2-[2-(diethylamino)ethyl]-6-methoxy-3,9-dimethylpyrazolo[3,4-b]quinolin-4-one
CID 4156685
ethane;5-methoxy-1,2,3-trimethylindole
CID 143529502
3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid
CID 83853725
2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117262736

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-4,9-dimethylpyrido[2,3-b]indol-2-yl)ethanone?
The IUPAC name of 1-(6-methoxy-4,9-dimethylpyrido[2,3-b]indol-2-yl)ethanone (CID 135060319) is 1-(6-methoxy-4,9-dimethylpyrido[2,3-b]indol-2-yl)ethanone.
What is the SMILES notation for 1-(6-methoxy-4,9-dimethylpyrido[2,3-b]indol-2-yl)ethanone?
The canonical SMILES for 1-(6-methoxy-4,9-dimethylpyrido[2,3-b]indol-2-yl)ethanone is COc1ccc2c(c1)c1c(C)cc(C(C)=O)nc1n2C.
What is the InChIKey of 1-(6-methoxy-4,9-dimethylpyrido[2,3-b]indol-2-yl)ethanone?
The InChIKey is TYVMLILXNWNTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-9-7-13(10(2)19)17-16-15(9)12-8-11(20-4)5-6-14(12)18(16)3/h5-8H,1-4H3.
What are the key properties of 1-(6-methoxy-4,9-dimethylpyrido[2,3-b]indol-2-yl)ethanone?
1-(6-methoxy-4,9-dimethylpyrido[2,3-b]indol-2-yl)ethanone has a molecular weight of 268.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-4,9-dimethylpyrido[2,3-b]indol-2-yl)ethanone is sourced from PubChem (CID 135060319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).