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

C22H21N3O — CID 46702107

IUPAC7-ethyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole
SMILESCCn1c2ccccc2c2c3c(ccc21)CN(Cc1ccccn1)CO3
InChIInChI=1S/C22H21N3O/c1-2-25-19-9-4-3-8-18(19)21-20(25)11-10-16-13-24(15-26-22(16)21)14-17-7-5-6-12-23-17/h3-12H,2,13-15H2,1H3
InChIKeyBCRQEXSQQLOULA-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.56
Rot. Bonds3

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

7-ethyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole (PubChem CID 46702107) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 7-ethyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole.

Molecular Properties

Compound Name7-ethyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole
PubChem CID46702107
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name7-ethyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole
SMILESCCn1c2ccccc2c2c3c(ccc21)CN(Cc1ccccn1)CO3
InChIInChI=1S/C22H21N3O/c1-2-25-19-9-4-3-8-18(19)21-20(25)11-10-16-13-24(15-26-22(16)21)14-17-7-5-6-12-23-17/h3-12H,2,13-15H2,1H3
InChIKeyBCRQEXSQQLOULA-UHFFFAOYSA-N
XLogP4.56
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole?
The IUPAC name of 7-ethyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole (CID 46702107) is 7-ethyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole.
What is the SMILES notation for 7-ethyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole?
The canonical SMILES for 7-ethyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole is CCn1c2ccccc2c2c3c(ccc21)CN(Cc1ccccn1)CO3.
What is the InChIKey of 7-ethyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole?
The InChIKey is BCRQEXSQQLOULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-2-25-19-9-4-3-8-18(19)21-20(25)11-10-16-13-24(15-26-22(16)21)14-17-7-5-6-12-23-17/h3-12H,2,13-15H2,1H3.
What are the key properties of 7-ethyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole?
7-ethyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole has a molecular weight of 343.43 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-(pyridin-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]carbazole is sourced from PubChem (CID 46702107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).