4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-yl]-2,3-dihydro-1,4-benzoxazine

C24H20N4O2 — CID 46873814

IUPAC4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-yl]-2,3-dihydro-1,4-benzoxazine
SMILESc1ccc2c(c1)OCCN2c1nc(N2CCOc3ccccc32)c2ccccc2n1
InChIInChI=1S/C24H20N4O2/c1-2-8-18-17(7-1)23(27-13-15-29-21-11-5-3-9-19(21)27)26-24(25-18)28-14-16-30-22-12-6-4-10-20(22)28/h1-12H,13-16H2
InChIKeyCLZAFITUTCTPMA-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.69
Rot. Bonds2

About 4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-yl]-2,3-dihydro-1,4-benzoxazine

4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-yl]-2,3-dihydro-1,4-benzoxazine (PubChem CID 46873814) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-yl]-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-yl]-2,3-dihydro-1,4-benzoxazine
PubChem CID46873814
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-yl]-2,3-dihydro-1,4-benzoxazine
SMILESc1ccc2c(c1)OCCN2c1nc(N2CCOc3ccccc32)c2ccccc2n1
InChIInChI=1S/C24H20N4O2/c1-2-8-18-17(7-1)23(27-13-15-29-21-11-5-3-9-19(21)27)26-24(25-18)28-14-16-30-22-12-6-4-10-20(22)28/h1-12H,13-16H2
InChIKeyCLZAFITUTCTPMA-UHFFFAOYSA-N
XLogP4.69
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-yl]-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-yl]-2,3-dihydro-1,4-benzoxazine (CID 46873814) is 4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-yl]-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-yl]-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-yl]-2,3-dihydro-1,4-benzoxazine is c1ccc2c(c1)OCCN2c1nc(N2CCOc3ccccc32)c2ccccc2n1.
What is the InChIKey of 4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-yl]-2,3-dihydro-1,4-benzoxazine?
The InChIKey is CLZAFITUTCTPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-2-8-18-17(7-1)23(27-13-15-29-21-11-5-3-9-19(21)27)26-24(25-18)28-14-16-30-22-12-6-4-10-20(22)28/h1-12H,13-16H2.
What are the key properties of 4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-yl]-2,3-dihydro-1,4-benzoxazine?
4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-yl]-2,3-dihydro-1,4-benzoxazine has a molecular weight of 396.45 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-yl]-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 46873814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).