1-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanone

C14H12N2O2 — CID 617627

IUPAC1-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanone
SMILESCOc1cnc(C(C)=O)c2[nH]c3ccccc3c12
InChIInChI=1S/C14H12N2O2/c1-8(17)13-14-12(11(18-2)7-15-13)9-5-3-4-6-10(9)16-14/h3-7,16H,1-2H3
InChIKeyXUJDMPJVPVPDFB-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.93
Rot. Bonds2

About 1-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanone

1-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanone (PubChem CID 617627) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanone
PubChem CID617627
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name1-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanone
SMILESCOc1cnc(C(C)=O)c2[nH]c3ccccc3c12
InChIInChI=1S/C14H12N2O2/c1-8(17)13-14-12(11(18-2)7-15-13)9-5-3-4-6-10(9)16-14/h3-7,16H,1-2H3
InChIKeyXUJDMPJVPVPDFB-UHFFFAOYSA-N
XLogP2.93
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Abecarnil
CID 65914
Bms-488043
CID 507806
Ethyl 4-(methoxymethyl)-6-(phenylmethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
CID 121926
Perlolyrine
CID 160179
Ethyl 4-methyl-5-(1-methylethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
CID 115210
Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
Arenarine C
CID 188439
6-Propoxy-4-(methoxymethyl)-beta-carboline-3-carboxylic acid ethyl ester
CID 131889
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(3-pyridyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280148
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 5280154
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(2-pyridyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280158
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(4-pyridyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280172

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanone?
The IUPAC name of 1-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanone (CID 617627) is 1-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanone.
What is the SMILES notation for 1-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanone?
The canonical SMILES for 1-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanone is COc1cnc(C(C)=O)c2[nH]c3ccccc3c12.
What is the InChIKey of 1-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanone?
The InChIKey is XUJDMPJVPVPDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-8(17)13-14-12(11(18-2)7-15-13)9-5-3-4-6-10(9)16-14/h3-7,16H,1-2H3.
What are the key properties of 1-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanone?
1-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanone has a molecular weight of 240.26 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanone is sourced from PubChem (CID 617627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).