1-morpholin-4-yl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone

C20H23N3O2S — CID 2138715

IUPAC1-morpholin-4-yl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone
SMILESO=C(CSc1nc(-c2ccccc2)nc2c1CCCC2)N1CCOCC1
InChIInChI=1S/C20H23N3O2S/c24-18(23-10-12-25-13-11-23)14-26-20-16-8-4-5-9-17(16)21-19(22-20)15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2
InChIKeyLFYLXGDMELEHEI-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.97
Rot. Bonds4

About 1-morpholin-4-yl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone

1-morpholin-4-yl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone (PubChem CID 2138715) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone
PubChem CID2138715
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name1-morpholin-4-yl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone
SMILESO=C(CSc1nc(-c2ccccc2)nc2c1CCCC2)N1CCOCC1
InChIInChI=1S/C20H23N3O2S/c24-18(23-10-12-25-13-11-23)14-26-20-16-8-4-5-9-17(16)21-19(22-20)15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2
InChIKeyLFYLXGDMELEHEI-UHFFFAOYSA-N
XLogP2.97
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-morpholin-4-yl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone 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-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-1-(4-methyl-piperidin-1-yl)-ethanone
CID 856987
2-(2-Cyclopropylquinazolin-4-yl)sulfanyl-1-piperidin-1-ylethanone
CID 1435085
N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide
CID 2379159
2-(2-Ethyl-quinazolin-4-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone
CID 652846
N,N-Dimethyl-2-(2-phenyl-5,6,7,8-tetrahydro-quinazolin-4-ylsulfanyl)-acetamide
CID 1083053
2-(2-m-Tolyl-5,6,7,8-tetrahydro-quinazolin-4-ylsulfanyl)-acetamide
CID 1083055
1-{[(4-Phenyl-5,6,7,8-tetrahydro-2-quinazolinyl)thio]acetyl}-4-piperidinecarboxamide
CID 1088072
1-Morpholin-4-yl-2-(4-phenyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-ethanone
CID 1140843
2-(2-Tert-butylquinazolin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 1442380
2-(2-tert-Butyl-quinazolin-4-ylsulfanyl)-N-(4-morpholin-4-yl-phenyl)-acetamide
CID 1442464
N-(4-Morpholin-4-yl-phenyl)-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1442655
2-(7,7-Dimethyl-2-p-tolyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-ylsulfanyl)-N,N-diethyl-acetamide
CID 1962427

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone (CID 2138715) is 1-morpholin-4-yl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone is O=C(CSc1nc(-c2ccccc2)nc2c1CCCC2)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone?
The InChIKey is LFYLXGDMELEHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-18(23-10-12-25-13-11-23)14-26-20-16-8-4-5-9-17(16)21-19(22-20)15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2.
What are the key properties of 1-morpholin-4-yl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone?
1-morpholin-4-yl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone has a molecular weight of 369.49 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanone is sourced from PubChem (CID 2138715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).