8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one

C16H20BrN3O2 — CID 170753277

IUPAC8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
SMILESCc1cc(C(C)Br)c2nc(N3CCOCC3)n(C)c(=O)c2c1
InChIInChI=1S/C16H20BrN3O2/c1-10-8-12(11(2)17)14-13(9-10)15(21)19(3)16(18-14)20-4-6-22-7-5-20/h8-9,11H,4-7H2,1-3H3
InChIKeyYJLPYJDOJBZOOE-UHFFFAOYSA-N
MW366.26 g/mol
LogP2.53
Rot. Bonds2

About 8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one

8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one (PubChem CID 170753277) has the molecular formula C16H20BrN3O2 and a molecular weight of 366.26 g/mol. Its IUPAC name is 8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one.

Molecular Properties

Compound Name8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
PubChem CID170753277
Molecular FormulaC16H20BrN3O2
Molecular Weight366.26 g/mol
Exact Mass365.07
IUPAC Name8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
SMILESCc1cc(C(C)Br)c2nc(N3CCOCC3)n(C)c(=O)c2c1
InChIInChI=1S/C16H20BrN3O2/c1-10-8-12(11(2)17)14-13(9-10)15(21)19(3)16(18-14)20-4-6-22-7-5-20/h8-9,11H,4-7H2,1-3H3
InChIKeyYJLPYJDOJBZOOE-UHFFFAOYSA-N
XLogP2.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170754048
8-[(1R)-1-(2-bromo-4-fluoroanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170753248
2-[[(1S)-1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]benzoic acid
CID 170753200
4-[[(1R)-1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]thiophene-3-carboxylic acid
CID 170754055
8-[1-(2-dimethylphosphorylanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170753683
tert-butyl-[[(1R)-1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)propyl]amino]-oxidosulfanium
CID 175998947
5-chloro-2-[[(1R)-1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]benzoic acid
CID 170753327
8-[1-[2-(2-hydroxyacetyl)anilino]ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170753581
2-[1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]-4-fluorobenzoic acid
CID 170753603
8-(1-aminoethyl)-3-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylquinazolin-4-one
CID 170753768
8-bromo-3-methyl-2-morpholin-4-yl-4-oxoquinazoline-6-carbaldehyde
CID 170753519
8-bromo-3,6-dimethyl-2-piperidin-1-ylquinazolin-4-one
CID 169155300

Frequently Asked Questions

What is the IUPAC name of 8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one?
The IUPAC name of 8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one (CID 170753277) is 8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one.
What is the SMILES notation for 8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one?
The canonical SMILES for 8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one is Cc1cc(C(C)Br)c2nc(N3CCOCC3)n(C)c(=O)c2c1.
What is the InChIKey of 8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one?
The InChIKey is YJLPYJDOJBZOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O2/c1-10-8-12(11(2)17)14-13(9-10)15(21)19(3)16(18-14)20-4-6-22-7-5-20/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one?
8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one has a molecular weight of 366.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one is sourced from PubChem (CID 170753277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).