7-(6,7-dimethoxycinnolin-4-yl)-4-methyl-2,3,8,8a-tetrahydro-1,4-benzoxazine

C19H21N3O3 — CID 24748326

IUPAC7-(6,7-dimethoxycinnolin-4-yl)-4-methyl-2,3,8,8a-tetrahydro-1,4-benzoxazine
SMILESCOc1cc2nncc(C3=CC=C4C(C3)OCCN4C)c2cc1OC
InChIInChI=1S/C19H21N3O3/c1-22-6-7-25-17-8-12(4-5-16(17)22)14-11-20-21-15-10-19(24-3)18(23-2)9-13(14)15/h4-5,9-11,17H,6-8H2,1-3H3
InChIKeyQDUCMIJFZUHOPZ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.65
Rot. Bonds3

About 7-(6,7-dimethoxycinnolin-4-yl)-4-methyl-2,3,8,8a-tetrahydro-1,4-benzoxazine

7-(6,7-dimethoxycinnolin-4-yl)-4-methyl-2,3,8,8a-tetrahydro-1,4-benzoxazine (PubChem CID 24748326) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 7-(6,7-dimethoxycinnolin-4-yl)-4-methyl-2,3,8,8a-tetrahydro-1,4-benzoxazine.

Molecular Properties

Compound Name7-(6,7-dimethoxycinnolin-4-yl)-4-methyl-2,3,8,8a-tetrahydro-1,4-benzoxazine
PubChem CID24748326
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name7-(6,7-dimethoxycinnolin-4-yl)-4-methyl-2,3,8,8a-tetrahydro-1,4-benzoxazine
SMILESCOc1cc2nncc(C3=CC=C4C(C3)OCCN4C)c2cc1OC
InChIInChI=1S/C19H21N3O3/c1-22-6-7-25-17-8-12(4-5-16(17)22)14-11-20-21-15-10-19(24-3)18(23-2)9-13(14)15/h4-5,9-11,17H,6-8H2,1-3H3
InChIKeyQDUCMIJFZUHOPZ-UHFFFAOYSA-N
XLogP2.65
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(6,7-dimethoxycinnolin-4-yl)-4-methyl-2,3,8,8a-tetrahydro-1,4-benzoxazine?
The IUPAC name of 7-(6,7-dimethoxycinnolin-4-yl)-4-methyl-2,3,8,8a-tetrahydro-1,4-benzoxazine (CID 24748326) is 7-(6,7-dimethoxycinnolin-4-yl)-4-methyl-2,3,8,8a-tetrahydro-1,4-benzoxazine.
What is the SMILES notation for 7-(6,7-dimethoxycinnolin-4-yl)-4-methyl-2,3,8,8a-tetrahydro-1,4-benzoxazine?
The canonical SMILES for 7-(6,7-dimethoxycinnolin-4-yl)-4-methyl-2,3,8,8a-tetrahydro-1,4-benzoxazine is COc1cc2nncc(C3=CC=C4C(C3)OCCN4C)c2cc1OC.
What is the InChIKey of 7-(6,7-dimethoxycinnolin-4-yl)-4-methyl-2,3,8,8a-tetrahydro-1,4-benzoxazine?
The InChIKey is QDUCMIJFZUHOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-22-6-7-25-17-8-12(4-5-16(17)22)14-11-20-21-15-10-19(24-3)18(23-2)9-13(14)15/h4-5,9-11,17H,6-8H2,1-3H3.
What are the key properties of 7-(6,7-dimethoxycinnolin-4-yl)-4-methyl-2,3,8,8a-tetrahydro-1,4-benzoxazine?
7-(6,7-dimethoxycinnolin-4-yl)-4-methyl-2,3,8,8a-tetrahydro-1,4-benzoxazine has a molecular weight of 339.40 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6,7-dimethoxycinnolin-4-yl)-4-methyl-2,3,8,8a-tetrahydro-1,4-benzoxazine is sourced from PubChem (CID 24748326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).