7-methyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole

C21H19N3O — CID 46704406

IUPAC7-methyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole
SMILESCn1c2ccccc2c2c3c(ccc21)CN(Cc1ccccn1)CO3
InChIInChI=1S/C21H19N3O/c1-23-18-8-3-2-7-17(18)20-19(23)10-9-15-12-24(14-25-21(15)20)13-16-6-4-5-11-22-16/h2-11H,12-14H2,1H3
InChIKeyOQWRHRSWIJMKEL-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.08
Rot. Bonds2

About 7-methyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole

7-methyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole (PubChem CID 46704406) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 7-methyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole.

Molecular Properties

Compound Name7-methyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole
PubChem CID46704406
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name7-methyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole
SMILESCn1c2ccccc2c2c3c(ccc21)CN(Cc1ccccn1)CO3
InChIInChI=1S/C21H19N3O/c1-23-18-8-3-2-7-17(18)20-19(23)10-9-15-12-24(14-25-21(15)20)13-16-6-4-5-11-22-16/h2-11H,12-14H2,1H3
InChIKeyOQWRHRSWIJMKEL-UHFFFAOYSA-N
XLogP4.08
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole?
The IUPAC name of 7-methyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole (CID 46704406) is 7-methyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole.
What is the SMILES notation for 7-methyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole?
The canonical SMILES for 7-methyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole is Cn1c2ccccc2c2c3c(ccc21)CN(Cc1ccccn1)CO3.
What is the InChIKey of 7-methyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole?
The InChIKey is OQWRHRSWIJMKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-23-18-8-3-2-7-17(18)20-19(23)10-9-15-12-24(14-25-21(15)20)13-16-6-4-5-11-22-16/h2-11H,12-14H2,1H3.
What are the key properties of 7-methyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole?
7-methyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole has a molecular weight of 329.40 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole is sourced from PubChem (CID 46704406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).