2-[3-[2-(4-bromophenyl)morpholin-4-yl]-3-oxopropyl]-3H-quinazolin-4-one

C21H20BrN3O3 — CID 135994857

IUPAC2-[3-[2-(4-bromophenyl)morpholin-4-yl]-3-oxopropyl]-3H-quinazolin-4-one
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C21H20BrN3O3/c22-15-7-5-14(6-8-15)18-13-25(11-12-28-18)20(26)10-9-19-23-17-4-2-1-3-16(17)21(27)24-19/h1-8,18H,9-13H2,(H,23,24,27)
InChIKeyLFPCSJCUDCXYKH-UHFFFAOYSA-N
MW442.31 g/mol
LogP3.22
Rot. Bonds4

About 2-[3-[2-(4-bromophenyl)morpholin-4-yl]-3-oxopropyl]-3H-quinazolin-4-one

2-[3-[2-(4-bromophenyl)morpholin-4-yl]-3-oxopropyl]-3H-quinazolin-4-one (PubChem CID 135994857) has the molecular formula C21H20BrN3O3 and a molecular weight of 442.31 g/mol. Its IUPAC name is 2-[3-[2-(4-bromophenyl)morpholin-4-yl]-3-oxopropyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-[2-(4-bromophenyl)morpholin-4-yl]-3-oxopropyl]-3H-quinazolin-4-one
PubChem CID135994857
Molecular FormulaC21H20BrN3O3
Molecular Weight442.31 g/mol
Exact Mass441.07
IUPAC Name2-[3-[2-(4-bromophenyl)morpholin-4-yl]-3-oxopropyl]-3H-quinazolin-4-one
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C21H20BrN3O3/c22-15-7-5-14(6-8-15)18-13-25(11-12-28-18)20(26)10-9-19-23-17-4-2-1-3-16(17)21(27)24-19/h1-8,18H,9-13H2,(H,23,24,27)
InChIKeyLFPCSJCUDCXYKH-UHFFFAOYSA-N
XLogP3.22
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[2-(4-bromophenyl)morpholin-4-yl]-3-oxopropyl]-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

2-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]-3H-quinazolin-4-one
CID 135922620
4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]morpholine-2-carbonitrile
CID 154859618
2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 135933709
3-[(2S)-2-(4-bromophenyl)morpholine-4-carbonyl]-2H-isoquinolin-1-one
CID 94975491
2,4-dimethyl-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]-1H-pyrimidin-6-one
CID 136882935
2-[3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]-3H-quinazolin-4-one
CID 135587910
3-(1,3-benzothiazol-2-yl)-1-[(2R)-2-phenylmorpholin-4-yl]propan-1-one
CID 35258822
2-[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 135622289
methyl 4-[2-(4-bromophenyl)morpholin-4-yl]-4-oxobutanoate
CID 110664958
1-[2-(4-bromophenyl)morpholin-4-yl]-4-pyridin-3-ylbutan-1-one
CID 110632312
2-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
CID 137303622
2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
CID 135659956

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-bromophenyl)morpholin-4-yl]-3-oxopropyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-[2-(4-bromophenyl)morpholin-4-yl]-3-oxopropyl]-3H-quinazolin-4-one (CID 135994857) is 2-[3-[2-(4-bromophenyl)morpholin-4-yl]-3-oxopropyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-[2-(4-bromophenyl)morpholin-4-yl]-3-oxopropyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-[2-(4-bromophenyl)morpholin-4-yl]-3-oxopropyl]-3H-quinazolin-4-one is O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCOC(c2ccc(Br)cc2)C1.
What is the InChIKey of 2-[3-[2-(4-bromophenyl)morpholin-4-yl]-3-oxopropyl]-3H-quinazolin-4-one?
The InChIKey is LFPCSJCUDCXYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O3/c22-15-7-5-14(6-8-15)18-13-25(11-12-28-18)20(26)10-9-19-23-17-4-2-1-3-16(17)21(27)24-19/h1-8,18H,9-13H2,(H,23,24,27).
What are the key properties of 2-[3-[2-(4-bromophenyl)morpholin-4-yl]-3-oxopropyl]-3H-quinazolin-4-one?
2-[3-[2-(4-bromophenyl)morpholin-4-yl]-3-oxopropyl]-3H-quinazolin-4-one has a molecular weight of 442.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-bromophenyl)morpholin-4-yl]-3-oxopropyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135994857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).