7-bromo-5-(1-morpholin-3-ylethoxy)-3H-quinazolin-4-one

C14H16BrN3O3 — CID 165120327

IUPAC7-bromo-5-(1-morpholin-3-ylethoxy)-3H-quinazolin-4-one
SMILESCC(Oc1cc(Br)cc2nc[nH]c(=O)c12)C1COCCN1
InChIInChI=1S/C14H16BrN3O3/c1-8(11-6-20-3-2-16-11)21-12-5-9(15)4-10-13(12)14(19)18-7-17-10/h4-5,7-8,11,16H,2-3,6H2,1H3,(H,17,18,19)
InChIKeyIZJFHISXXHMNEL-UHFFFAOYSA-N
MW354.20 g/mol
LogP1.44
Rot. Bonds3

About 7-bromo-5-(1-morpholin-3-ylethoxy)-3H-quinazolin-4-one

7-bromo-5-(1-morpholin-3-ylethoxy)-3H-quinazolin-4-one (PubChem CID 165120327) has the molecular formula C14H16BrN3O3 and a molecular weight of 354.20 g/mol. Its IUPAC name is 7-bromo-5-(1-morpholin-3-ylethoxy)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-5-(1-morpholin-3-ylethoxy)-3H-quinazolin-4-one
PubChem CID165120327
Molecular FormulaC14H16BrN3O3
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC Name7-bromo-5-(1-morpholin-3-ylethoxy)-3H-quinazolin-4-one
SMILESCC(Oc1cc(Br)cc2nc[nH]c(=O)c12)C1COCCN1
InChIInChI=1S/C14H16BrN3O3/c1-8(11-6-20-3-2-16-11)21-12-5-9(15)4-10-13(12)14(19)18-7-17-10/h4-5,7-8,11,16H,2-3,6H2,1H3,(H,17,18,19)
InChIKeyIZJFHISXXHMNEL-UHFFFAOYSA-N
XLogP1.44
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-bromo-5-(1-morpholin-3-ylethoxy)-3H-quinazolin-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

7-bromo-5-hydroxy-3H-quinazolin-4-one
CID 139330727
3-(4-bromo-2,6-dimethoxyphenyl)morpholine
CID 154562086
5-(oxan-4-yloxy)-7-(2-piperidin-1-ylethoxy)-3H-quinazolin-4-one
CID 136931829
2-methyl-1-morpholin-3-ylpropan-1-amine
CID 116941094
3-(3,5-dibromophenyl)morpholine
CID 126971173
7-amino-5-bromo-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135542052
N-(3H-benzimidazol-5-yl)morpholine-3-carboxamide
CID 115177562
7-fluoro-5-(2-methoxyethoxy)-3H-quinazolin-4-one
CID 136951729
(3R)-3-(4-bromo-2-methoxyphenyl)morpholine;hydrochloride
CID 171192624
5-methoxy-3H-quinazolin-4-one;hydrochloride
CID 136504101
7-bromo-3-methyl-2-morpholin-3-ylquinazolin-4-one
CID 58574885
3-propan-2-yl-1,4-oxazepane
CID 82354623

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(1-morpholin-3-ylethoxy)-3H-quinazolin-4-one?
The IUPAC name of 7-bromo-5-(1-morpholin-3-ylethoxy)-3H-quinazolin-4-one (CID 165120327) is 7-bromo-5-(1-morpholin-3-ylethoxy)-3H-quinazolin-4-one.
What is the SMILES notation for 7-bromo-5-(1-morpholin-3-ylethoxy)-3H-quinazolin-4-one?
The canonical SMILES for 7-bromo-5-(1-morpholin-3-ylethoxy)-3H-quinazolin-4-one is CC(Oc1cc(Br)cc2nc[nH]c(=O)c12)C1COCCN1.
What is the InChIKey of 7-bromo-5-(1-morpholin-3-ylethoxy)-3H-quinazolin-4-one?
The InChIKey is IZJFHISXXHMNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3/c1-8(11-6-20-3-2-16-11)21-12-5-9(15)4-10-13(12)14(19)18-7-17-10/h4-5,7-8,11,16H,2-3,6H2,1H3,(H,17,18,19).
What are the key properties of 7-bromo-5-(1-morpholin-3-ylethoxy)-3H-quinazolin-4-one?
7-bromo-5-(1-morpholin-3-ylethoxy)-3H-quinazolin-4-one has a molecular weight of 354.20 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(1-morpholin-3-ylethoxy)-3H-quinazolin-4-one is sourced from PubChem (CID 165120327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).