2-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one

C22H21N3O2S — CID 9329676

IUPAC2-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one
SMILESCCCn1c(S[C@H](C)C(=O)c2c[nH]c3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C22H21N3O2S/c1-3-12-25-21(27)16-9-5-7-11-19(16)24-22(25)28-14(2)20(26)17-13-23-18-10-6-4-8-15(17)18/h4-11,13-14,23H,3,12H2,1-2H3/t14-/m1/s1
InChIKeyKNWDIWYMZCDKRX-CQSZACIVSA-N
MW391.50 g/mol
LogP4.65
Rot. Bonds6

About 2-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one

2-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one (PubChem CID 9329676) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one.

Molecular Properties

Compound Name2-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one
PubChem CID9329676
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name2-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one
SMILESCCCn1c(S[C@H](C)C(=O)c2c[nH]c3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C22H21N3O2S/c1-3-12-25-21(27)16-9-5-7-11-19(16)24-22(25)28-14(2)20(26)17-13-23-18-10-6-4-8-15(17)18/h4-11,13-14,23H,3,12H2,1-2H3/t14-/m1/s1
InChIKeyKNWDIWYMZCDKRX-CQSZACIVSA-N
XLogP4.65
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one with MolForge

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Related Compounds

3-ethyl-2-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 7875954
2-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one
CID 3443150
2-[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one
CID 9329967
(2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 8000202
N-[(4-fluorophenyl)methyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 46618238
2-[(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one
CID 8747914
N-(2,3-dichlorophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 16535583
(2R)-N-ethyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 9329810
N'-[(2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoyl]benzohydrazide
CID 8940921
3-ethyl-2-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 7876084
(2S)-N-cyclopentyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 9329750
(2S)-N-(4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 8000199

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one?
The IUPAC name of 2-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one (CID 9329676) is 2-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one.
What is the SMILES notation for 2-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one?
The canonical SMILES for 2-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one is CCCn1c(S[C@H](C)C(=O)c2c[nH]c3ccccc23)nc2ccccc2c1=O.
What is the InChIKey of 2-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one?
The InChIKey is KNWDIWYMZCDKRX-CQSZACIVSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-3-12-25-21(27)16-9-5-7-11-19(16)24-22(25)28-14(2)20(26)17-13-23-18-10-6-4-8-15(17)18/h4-11,13-14,23H,3,12H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one?
2-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one has a molecular weight of 391.50 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one is sourced from PubChem (CID 9329676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).