(1-methylindol-3-yl)-quinoxalin-6-ylmethanone

C18H13N3O — CID 170857089

IUPAC(1-methylindol-3-yl)-quinoxalin-6-ylmethanone
SMILESCn1cc(C(=O)c2ccc3nccnc3c2)c2ccccc21
InChIInChI=1S/C18H13N3O/c1-21-11-14(13-4-2-3-5-17(13)21)18(22)12-6-7-15-16(10-12)20-9-8-19-15/h2-11H,1H3
InChIKeySDPQBFMBEWMJJS-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.35
Rot. Bonds2

About (1-methylindol-3-yl)-quinoxalin-6-ylmethanone

(1-methylindol-3-yl)-quinoxalin-6-ylmethanone (PubChem CID 170857089) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is (1-methylindol-3-yl)-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name(1-methylindol-3-yl)-quinoxalin-6-ylmethanone
PubChem CID170857089
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name(1-methylindol-3-yl)-quinoxalin-6-ylmethanone
SMILESCn1cc(C(=O)c2ccc3nccnc3c2)c2ccccc21
InChIInChI=1S/C18H13N3O/c1-21-11-14(13-4-2-3-5-17(13)21)18(22)12-6-7-15-16(10-12)20-9-8-19-15/h2-11H,1H3
InChIKeySDPQBFMBEWMJJS-UHFFFAOYSA-N
XLogP3.35
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(methylamino)phenyl]-(1-methylindol-3-yl)methanone
CID 116917320
(1-methylindol-3-yl)-(3-methyl-4-nitrophenyl)methanone
CID 163878841
furan-3-yl-(1-methylindol-3-yl)methanone
CID 43463454
(5-bromothiophen-3-yl)-(1-methylindol-3-yl)methanone
CID 107959895
1-methylindole-3-carbothioic S-acid
CID 116918837
(1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone
CID 23544603
(2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone
CID 81111128
[1-(2-morpholin-4-ylethyl)indol-3-yl]-quinolin-6-ylmethanone
CID 10452672
(3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116546949
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
(1-methylindol-3-yl)-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone
CID 155806220

Frequently Asked Questions

What is the IUPAC name of (1-methylindol-3-yl)-quinoxalin-6-ylmethanone?
The IUPAC name of (1-methylindol-3-yl)-quinoxalin-6-ylmethanone (CID 170857089) is (1-methylindol-3-yl)-quinoxalin-6-ylmethanone.
What is the SMILES notation for (1-methylindol-3-yl)-quinoxalin-6-ylmethanone?
The canonical SMILES for (1-methylindol-3-yl)-quinoxalin-6-ylmethanone is Cn1cc(C(=O)c2ccc3nccnc3c2)c2ccccc21.
What is the InChIKey of (1-methylindol-3-yl)-quinoxalin-6-ylmethanone?
The InChIKey is SDPQBFMBEWMJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c1-21-11-14(13-4-2-3-5-17(13)21)18(22)12-6-7-15-16(10-12)20-9-8-19-15/h2-11H,1H3.
What are the key properties of (1-methylindol-3-yl)-quinoxalin-6-ylmethanone?
(1-methylindol-3-yl)-quinoxalin-6-ylmethanone has a molecular weight of 287.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-3-yl)-quinoxalin-6-ylmethanone is sourced from PubChem (CID 170857089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).