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

C23H20N4O — CID 46173064

IUPACN-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-amine
SMILESc1ccc(CNc2nc(N3CCOc4ccccc43)nc3ccccc23)cc1
InChIInChI=1S/C23H20N4O/c1-2-8-17(9-3-1)16-24-22-18-10-4-5-11-19(18)25-23(26-22)27-14-15-28-21-13-7-6-12-20(21)27/h1-13H,14-16H2,(H,24,25,26)
InChIKeyHKNOGBWOYHPLMF-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.77
Rot. Bonds4

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

N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-amine (PubChem CID 46173064) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-amine
PubChem CID46173064
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-amine
SMILESc1ccc(CNc2nc(N3CCOc4ccccc43)nc3ccccc23)cc1
InChIInChI=1S/C23H20N4O/c1-2-8-17(9-3-1)16-24-22-18-10-4-5-11-19(18)25-23(26-22)27-14-15-28-21-13-7-6-12-20(21)27/h1-13H,14-16H2,(H,24,25,26)
InChIKeyHKNOGBWOYHPLMF-UHFFFAOYSA-N
XLogP4.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-amine?
The IUPAC name of N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-amine (CID 46173064) is N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-amine?
The canonical SMILES for N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-amine is c1ccc(CNc2nc(N3CCOc4ccccc43)nc3ccccc23)cc1.
What is the InChIKey of N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-amine?
The InChIKey is HKNOGBWOYHPLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-2-8-17(9-3-1)16-24-22-18-10-4-5-11-19(18)25-23(26-22)27-14-15-28-21-13-7-6-12-20(21)27/h1-13H,14-16H2,(H,24,25,26).
What are the key properties of N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-amine?
N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-amine has a molecular weight of 368.44 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-4-amine is sourced from PubChem (CID 46173064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).