N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-8-methoxyquinazolin-4-amine

C24H22N4O2 — CID 46873819

IUPACN-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-8-methoxyquinazolin-4-amine
SMILESCOc1cccc2c(NCc3ccccc3)nc(N3CCOc4ccccc43)nc12
InChIInChI=1S/C24H22N4O2/c1-29-21-13-7-10-18-22(21)26-24(27-23(18)25-16-17-8-3-2-4-9-17)28-14-15-30-20-12-6-5-11-19(20)28/h2-13H,14-16H2,1H3,(H,25,26,27)
InChIKeyIYXHYFRAECMMNU-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.78
Rot. Bonds5

About N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-8-methoxyquinazolin-4-amine

N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-8-methoxyquinazolin-4-amine (PubChem CID 46873819) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-8-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-8-methoxyquinazolin-4-amine
PubChem CID46873819
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-8-methoxyquinazolin-4-amine
SMILESCOc1cccc2c(NCc3ccccc3)nc(N3CCOc4ccccc43)nc12
InChIInChI=1S/C24H22N4O2/c1-29-21-13-7-10-18-22(21)26-24(27-23(18)25-16-17-8-3-2-4-9-17)28-14-15-30-20-12-6-5-11-19(20)28/h2-13H,14-16H2,1H3,(H,25,26,27)
InChIKeyIYXHYFRAECMMNU-UHFFFAOYSA-N
XLogP4.78
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-8-methoxyquinazolin-4-amine?
The IUPAC name of N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-8-methoxyquinazolin-4-amine (CID 46873819) is N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-8-methoxyquinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-8-methoxyquinazolin-4-amine?
The canonical SMILES for N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-8-methoxyquinazolin-4-amine is COc1cccc2c(NCc3ccccc3)nc(N3CCOc4ccccc43)nc12.
What is the InChIKey of N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-8-methoxyquinazolin-4-amine?
The InChIKey is IYXHYFRAECMMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-29-21-13-7-10-18-22(21)26-24(27-23(18)25-16-17-8-3-2-4-9-17)28-14-15-30-20-12-6-5-11-19(20)28/h2-13H,14-16H2,1H3,(H,25,26,27).
What are the key properties of N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-8-methoxyquinazolin-4-amine?
N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-8-methoxyquinazolin-4-amine has a molecular weight of 398.47 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-8-methoxyquinazolin-4-amine is sourced from PubChem (CID 46873819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).