6-(3-methoxybenzoyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one

C22H20N2O3 — CID 43865769

IUPAC6-(3-methoxybenzoyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
SMILESCOc1cccc(C(=O)N2CCc3c4n(c5ccccc35)C(=O)CCC42)c1
InChIInChI=1S/C22H20N2O3/c1-27-15-6-4-5-14(13-15)22(26)23-12-11-17-16-7-2-3-8-18(16)24-20(25)10-9-19(23)21(17)24/h2-8,13,19H,9-12H2,1H3
InChIKeyXTDIFTRQIRNIMF-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.82
Rot. Bonds2

About 6-(3-methoxybenzoyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one

6-(3-methoxybenzoyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one (PubChem CID 43865769) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 6-(3-methoxybenzoyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one.

Molecular Properties

Compound Name6-(3-methoxybenzoyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
PubChem CID43865769
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name6-(3-methoxybenzoyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
SMILESCOc1cccc(C(=O)N2CCc3c4n(c5ccccc35)C(=O)CCC42)c1
InChIInChI=1S/C22H20N2O3/c1-27-15-6-4-5-14(13-15)22(26)23-12-11-17-16-7-2-3-8-18(16)24-20(25)10-9-19(23)21(17)24/h2-8,13,19H,9-12H2,1H3
InChIKeyXTDIFTRQIRNIMF-UHFFFAOYSA-N
XLogP3.82
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-6-(4-methylbenzoyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
CID 51802181
6-(3-methyl-1-benzofuran-2-carbonyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
CID 54774699
6-(2-oxopropyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
CID 3049895
(3-methoxyphenyl)-(6-methoxy-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 164616850
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 51000391
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
1-(3-methoxybenzoyl)-3,4,4a,6,7,7a-hexahydrocyclopenta[b]pyridine-2,5-dione
CID 18372277
1-(3-methoxybenzoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
CID 131640170
(2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 2852240
(3-methoxyphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156078
(2,3-dicyclopropylazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 122152021

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxybenzoyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one?
The IUPAC name of 6-(3-methoxybenzoyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one (CID 43865769) is 6-(3-methoxybenzoyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one.
What is the SMILES notation for 6-(3-methoxybenzoyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one?
The canonical SMILES for 6-(3-methoxybenzoyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one is COc1cccc(C(=O)N2CCc3c4n(c5ccccc35)C(=O)CCC42)c1.
What is the InChIKey of 6-(3-methoxybenzoyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one?
The InChIKey is XTDIFTRQIRNIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-27-15-6-4-5-14(13-15)22(26)23-12-11-17-16-7-2-3-8-18(16)24-20(25)10-9-19(23)21(17)24/h2-8,13,19H,9-12H2,1H3.
What are the key properties of 6-(3-methoxybenzoyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one?
6-(3-methoxybenzoyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one has a molecular weight of 360.41 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxybenzoyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one is sourced from PubChem (CID 43865769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).