7-(1H-indol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

C15H13N3O — CID 66936733

IUPAC7-(1H-indol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
SMILESc1cc(-c2cnc3c(c2)NCCO3)c2cc[nH]c2c1
InChIInChI=1S/C15H13N3O/c1-2-11(12-4-5-16-13(12)3-1)10-8-14-15(18-9-10)19-7-6-17-14/h1-5,8-9,16-17H,6-7H2
InChIKeySDQLTHGIMKNDGZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.03
Rot. Bonds1

About 7-(1H-indol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

7-(1H-indol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine (PubChem CID 66936733) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 7-(1H-indol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine.

Molecular Properties

Compound Name7-(1H-indol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
PubChem CID66936733
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name7-(1H-indol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
SMILESc1cc(-c2cnc3c(c2)NCCO3)c2cc[nH]c2c1
InChIInChI=1S/C15H13N3O/c1-2-11(12-4-5-16-13(12)3-1)10-8-14-15(18-9-10)19-7-6-17-14/h1-5,8-9,16-17H,6-7H2
InChIKeySDQLTHGIMKNDGZ-UHFFFAOYSA-N
XLogP3.03
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-indol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The IUPAC name of 7-(1H-indol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine (CID 66936733) is 7-(1H-indol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine.
What is the SMILES notation for 7-(1H-indol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The canonical SMILES for 7-(1H-indol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is c1cc(-c2cnc3c(c2)NCCO3)c2cc[nH]c2c1.
What is the InChIKey of 7-(1H-indol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The InChIKey is SDQLTHGIMKNDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-2-11(12-4-5-16-13(12)3-1)10-8-14-15(18-9-10)19-7-6-17-14/h1-5,8-9,16-17H,6-7H2.
What are the key properties of 7-(1H-indol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
7-(1H-indol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine has a molecular weight of 251.29 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is sourced from PubChem (CID 66936733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).