1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone

C22H23N3OS — CID 3221488

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone
SMILESCC(C)c1nc(SCC(=O)N2c3ccccc3CC2C)c2ccccc2n1
InChIInChI=1S/C22H23N3OS/c1-14(2)21-23-18-10-6-5-9-17(18)22(24-21)27-13-20(26)25-15(3)12-16-8-4-7-11-19(16)25/h4-11,14-15H,12-13H2,1-3H3
InChIKeyPHSBPVWYMAHSKV-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.82
Rot. Bonds4

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone (PubChem CID 3221488) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone
PubChem CID3221488
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone
SMILESCC(C)c1nc(SCC(=O)N2c3ccccc3CC2C)c2ccccc2n1
InChIInChI=1S/C22H23N3OS/c1-14(2)21-23-18-10-6-5-9-17(18)22(24-21)27-13-20(26)25-15(3)12-16-8-4-7-11-19(16)25/h4-11,14-15H,12-13H2,1-3H3
InChIKeyPHSBPVWYMAHSKV-UHFFFAOYSA-N
XLogP4.82
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone with MolForge

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Related Compounds

2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-N-m-tolyl-acetamide
CID 856981
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
Isopropyl 2-[(2-benzylquinazolin-4-YL)sulfanyl]acetate
CID 1442567
N-Cyclopentyl-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1442575
N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide
CID 2379159
(2-Phenyl-quinazolin-4-ylsulfanyl)-acetonitrile
CID 3141919
N-Butyl-2-[(2-propylquinazolin-4-YL)sulfanyl]acetamide
CID 3221482
2-[2-(1-Adamantyl)quinazolin-4-yl]sulfanylacetamide
CID 3221498
(2-Isopropyl-quinazolin-4-ylsulfanyl)-acetic acid methyl ester
CID 652110
2-(2-Ethyl-quinazolin-4-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone
CID 652846
2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 722455

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone (CID 3221488) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone is CC(C)c1nc(SCC(=O)N2c3ccccc3CC2C)c2ccccc2n1.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone?
The InChIKey is PHSBPVWYMAHSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-14(2)21-23-18-10-6-5-9-17(18)22(24-21)27-13-20(26)25-15(3)12-16-8-4-7-11-19(16)25/h4-11,14-15H,12-13H2,1-3H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone has a molecular weight of 377.51 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone is sourced from PubChem (CID 3221488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).