4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzoxazine

C15H16N4O — CID 117101715

IUPAC4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzoxazine
SMILESc1ccc2c(c1)OCCN2c1ncnc2c1CCNC2
InChIInChI=1S/C15H16N4O/c1-2-4-14-13(3-1)19(7-8-20-14)15-11-5-6-16-9-12(11)17-10-18-15/h1-4,10,16H,5-9H2
InChIKeyJGWOMQVDMYDMDB-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.65
Rot. Bonds1

About 4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzoxazine

4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 117101715) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzoxazine
PubChem CID117101715
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzoxazine
SMILESc1ccc2c(c1)OCCN2c1ncnc2c1CCNC2
InChIInChI=1S/C15H16N4O/c1-2-4-14-13(3-1)19(7-8-20-14)15-11-5-6-16-9-12(11)17-10-18-15/h1-4,10,16H,5-9H2
InChIKeyJGWOMQVDMYDMDB-UHFFFAOYSA-N
XLogP1.65
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzoxazine (CID 117101715) is 4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzoxazine is c1ccc2c(c1)OCCN2c1ncnc2c1CCNC2.
What is the InChIKey of 4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is JGWOMQVDMYDMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-4-14-13(3-1)19(7-8-20-14)15-11-5-6-16-9-12(11)17-10-18-15/h1-4,10,16H,5-9H2.
What are the key properties of 4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzoxazine?
4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 268.32 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 117101715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).