1-[2-(6-bromo-4-phenylquinazolin-2-yl)hydrazinyl]-2-morpholin-4-ylethanol

C20H22BrN5O2 — CID 71945996

IUPAC1-[2-(6-bromo-4-phenylquinazolin-2-yl)hydrazinyl]-2-morpholin-4-ylethanol
SMILESOC(CN1CCOCC1)NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1
InChIInChI=1S/C20H22BrN5O2/c21-15-6-7-17-16(12-15)19(14-4-2-1-3-5-14)23-20(22-17)25-24-18(27)13-26-8-10-28-11-9-26/h1-7,12,18,24,27H,8-11,13H2,(H,22,23,25)
InChIKeyDHIAETWWQGSZTF-UHFFFAOYSA-N
MW444.33 g/mol
LogP2.63
Rot. Bonds6

About 1-[2-(6-bromo-4-phenylquinazolin-2-yl)hydrazinyl]-2-morpholin-4-ylethanol

1-[2-(6-bromo-4-phenylquinazolin-2-yl)hydrazinyl]-2-morpholin-4-ylethanol (PubChem CID 71945996) has the molecular formula C20H22BrN5O2 and a molecular weight of 444.33 g/mol. Its IUPAC name is 1-[2-(6-bromo-4-phenylquinazolin-2-yl)hydrazinyl]-2-morpholin-4-ylethanol.

Molecular Properties

Compound Name1-[2-(6-bromo-4-phenylquinazolin-2-yl)hydrazinyl]-2-morpholin-4-ylethanol
PubChem CID71945996
Molecular FormulaC20H22BrN5O2
Molecular Weight444.33 g/mol
Exact Mass443.10
IUPAC Name1-[2-(6-bromo-4-phenylquinazolin-2-yl)hydrazinyl]-2-morpholin-4-ylethanol
SMILESOC(CN1CCOCC1)NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1
InChIInChI=1S/C20H22BrN5O2/c21-15-6-7-17-16(12-15)19(14-4-2-1-3-5-14)23-20(22-17)25-24-18(27)13-26-8-10-28-11-9-26/h1-7,12,18,24,27H,8-11,13H2,(H,22,23,25)
InChIKeyDHIAETWWQGSZTF-UHFFFAOYSA-N
XLogP2.63
TPSA82.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.33
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-bromo-4-phenylquinazolin-2-yl)hydrazinyl]-2-morpholin-4-ylethanol?
The IUPAC name of 1-[2-(6-bromo-4-phenylquinazolin-2-yl)hydrazinyl]-2-morpholin-4-ylethanol (CID 71945996) is 1-[2-(6-bromo-4-phenylquinazolin-2-yl)hydrazinyl]-2-morpholin-4-ylethanol.
What is the SMILES notation for 1-[2-(6-bromo-4-phenylquinazolin-2-yl)hydrazinyl]-2-morpholin-4-ylethanol?
The canonical SMILES for 1-[2-(6-bromo-4-phenylquinazolin-2-yl)hydrazinyl]-2-morpholin-4-ylethanol is OC(CN1CCOCC1)NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1.
What is the InChIKey of 1-[2-(6-bromo-4-phenylquinazolin-2-yl)hydrazinyl]-2-morpholin-4-ylethanol?
The InChIKey is DHIAETWWQGSZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN5O2/c21-15-6-7-17-16(12-15)19(14-4-2-1-3-5-14)23-20(22-17)25-24-18(27)13-26-8-10-28-11-9-26/h1-7,12,18,24,27H,8-11,13H2,(H,22,23,25).
What are the key properties of 1-[2-(6-bromo-4-phenylquinazolin-2-yl)hydrazinyl]-2-morpholin-4-ylethanol?
1-[2-(6-bromo-4-phenylquinazolin-2-yl)hydrazinyl]-2-morpholin-4-ylethanol has a molecular weight of 444.33 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-bromo-4-phenylquinazolin-2-yl)hydrazinyl]-2-morpholin-4-ylethanol is sourced from PubChem (CID 71945996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).