2-ethyl-5-(3-morpholin-4-ylprop-1-ynyl)-3-phenylquinazolin-4-one

C23H23N3O2 — CID 144824441

IUPAC2-ethyl-5-(3-morpholin-4-ylprop-1-ynyl)-3-phenylquinazolin-4-one
SMILESCCc1nc2cccc(C#CCN3CCOCC3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C23H23N3O2/c1-2-21-24-20-12-6-8-18(9-7-13-25-14-16-28-17-15-25)22(20)23(27)26(21)19-10-4-3-5-11-19/h3-6,8,10-12H,2,13-17H2,1H3
InChIKeyBAFMXPYSRZGCMV-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.63
Rot. Bonds3

About 2-ethyl-5-(3-morpholin-4-ylprop-1-ynyl)-3-phenylquinazolin-4-one

2-ethyl-5-(3-morpholin-4-ylprop-1-ynyl)-3-phenylquinazolin-4-one (PubChem CID 144824441) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-ethyl-5-(3-morpholin-4-ylprop-1-ynyl)-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-5-(3-morpholin-4-ylprop-1-ynyl)-3-phenylquinazolin-4-one
PubChem CID144824441
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-ethyl-5-(3-morpholin-4-ylprop-1-ynyl)-3-phenylquinazolin-4-one
SMILESCCc1nc2cccc(C#CCN3CCOCC3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C23H23N3O2/c1-2-21-24-20-12-6-8-18(9-7-13-25-14-16-28-17-15-25)22(20)23(27)26(21)19-10-4-3-5-11-19/h3-6,8,10-12H,2,13-17H2,1H3
InChIKeyBAFMXPYSRZGCMV-UHFFFAOYSA-N
XLogP2.63
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one
CID 144824418
2-ethyl-5-(2-morpholin-4-ylethoxy)-3-phenylquinazolin-4-one
CID 166785362
2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile
CID 123768528
5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
CID 123948593
5-[2-(1,3-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
CID 144824894
5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
CID 144824878
2-amino-N-[(1R)-1-[5-(3-morpholin-4-ylprop-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118004242
2-ethyl-3-phenylquinazolin-4-one
CID 719985
3-amino-1-methyl-5-[(Z)-prop-2-enylideneamino]pyrazole-4-carboxamide;2-ethyl-5-[3-(2-oxopyrrolidin-1-yl)prop-1-ynyl]-3-phenylquinazolin-4-one
CID 144824355
8-but-1-ynyl-3-ethyl-2-phenylisoquinolin-1-one
CID 144824176
2-amino-N-[(1R)-1-[8-(3-morpholin-4-ylprop-1-ynyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118003666
2-methyl-N-[(1S)-1-[5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118031893

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(3-morpholin-4-ylprop-1-ynyl)-3-phenylquinazolin-4-one?
The IUPAC name of 2-ethyl-5-(3-morpholin-4-ylprop-1-ynyl)-3-phenylquinazolin-4-one (CID 144824441) is 2-ethyl-5-(3-morpholin-4-ylprop-1-ynyl)-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-ethyl-5-(3-morpholin-4-ylprop-1-ynyl)-3-phenylquinazolin-4-one?
The canonical SMILES for 2-ethyl-5-(3-morpholin-4-ylprop-1-ynyl)-3-phenylquinazolin-4-one is CCc1nc2cccc(C#CCN3CCOCC3)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-ethyl-5-(3-morpholin-4-ylprop-1-ynyl)-3-phenylquinazolin-4-one?
The InChIKey is BAFMXPYSRZGCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-2-21-24-20-12-6-8-18(9-7-13-25-14-16-28-17-15-25)22(20)23(27)26(21)19-10-4-3-5-11-19/h3-6,8,10-12H,2,13-17H2,1H3.
What are the key properties of 2-ethyl-5-(3-morpholin-4-ylprop-1-ynyl)-3-phenylquinazolin-4-one?
2-ethyl-5-(3-morpholin-4-ylprop-1-ynyl)-3-phenylquinazolin-4-one has a molecular weight of 373.46 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(3-morpholin-4-ylprop-1-ynyl)-3-phenylquinazolin-4-one is sourced from PubChem (CID 144824441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).