3-cycloheptyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine

C18H22N2O — CID 135353952

IUPAC3-cycloheptyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
SMILESc1cnc2c3c(ccc2c1)CN(C1CCCCCC1)CO3
InChIInChI=1S/C18H22N2O/c1-2-4-8-16(7-3-1)20-12-15-10-9-14-6-5-11-19-17(14)18(15)21-13-20/h5-6,9-11,16H,1-4,7-8,12-13H2
InChIKeyMKHUZLZAYLHAQB-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.11
Rot. Bonds1

About 3-cycloheptyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine

3-cycloheptyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine (PubChem CID 135353952) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-cycloheptyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine.

Molecular Properties

Compound Name3-cycloheptyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
PubChem CID135353952
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-cycloheptyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
SMILESc1cnc2c3c(ccc2c1)CN(C1CCCCCC1)CO3
InChIInChI=1S/C18H22N2O/c1-2-4-8-16(7-3-1)20-12-15-10-9-14-6-5-11-19-17(14)18(15)21-13-20/h5-6,9-11,16H,1-4,7-8,12-13H2
InChIKeyMKHUZLZAYLHAQB-UHFFFAOYSA-N
XLogP4.11
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine?
The IUPAC name of 3-cycloheptyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine (CID 135353952) is 3-cycloheptyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine.
What is the SMILES notation for 3-cycloheptyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine?
The canonical SMILES for 3-cycloheptyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine is c1cnc2c3c(ccc2c1)CN(C1CCCCCC1)CO3.
What is the InChIKey of 3-cycloheptyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine?
The InChIKey is MKHUZLZAYLHAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-4-8-16(7-3-1)20-12-15-10-9-14-6-5-11-19-17(14)18(15)21-13-20/h5-6,9-11,16H,1-4,7-8,12-13H2.
What are the key properties of 3-cycloheptyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine?
3-cycloheptyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine has a molecular weight of 282.39 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine is sourced from PubChem (CID 135353952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).