2-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one

C27H23N3O2S — CID 3443150

IUPAC2-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one
SMILESCCCn1c(SC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C27H23N3O2S/c1-2-16-30-26(32)20-13-7-9-15-23(20)29-27(30)33-25(18-10-4-3-5-11-18)24(31)21-17-28-22-14-8-6-12-19(21)22/h3-15,17,25,28H,2,16H2,1H3
InChIKeyRLTFBLOCHUJTPY-UHFFFAOYSA-N
MW453.57 g/mol
LogP6.00
Rot. Bonds7

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

2-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one (PubChem CID 3443150) has the molecular formula C27H23N3O2S and a molecular weight of 453.57 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one
PubChem CID3443150
Molecular FormulaC27H23N3O2S
Molecular Weight453.57 g/mol
Exact Mass453.15
IUPAC Name2-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one
SMILESCCCn1c(SC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C27H23N3O2S/c1-2-16-30-26(32)20-13-7-9-15-23(20)29-27(30)33-25(18-10-4-3-5-11-18)24(31)21-17-28-22-14-8-6-12-19(21)22/h3-15,17,25,28H,2,16H2,1H3
InChIKeyRLTFBLOCHUJTPY-UHFFFAOYSA-N
XLogP6.00
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.57
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

2-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one
CID 9329676
3-ethyl-2-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 7875954
(2S)-N-(methylcarbamoyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-2-phenylacetamide
CID 9329945
(2S)-1-(1H-indol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylethanone
CID 2454662
3-ethyl-2-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 4562317
2-[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 40815594
2-[1,2-bis(4-methylphenyl)-2-oxoethyl]sulfanyl-3-ethylquinazolin-4-one
CID 18286837
ethyl (2S)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetate
CID 9360454
2-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 5033701
2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one
CID 41059209
3-[(1R)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 25384946
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)-2-phenylethanone
CID 4988401

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one?
The IUPAC name of 2-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one (CID 3443150) is 2-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one?
The canonical SMILES for 2-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one is CCCn1c(SC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 2-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one?
The InChIKey is RLTFBLOCHUJTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2S/c1-2-16-30-26(32)20-13-7-9-15-23(20)29-27(30)33-25(18-10-4-3-5-11-18)24(31)21-17-28-22-14-8-6-12-19(21)22/h3-15,17,25,28H,2,16H2,1H3.
What are the key properties of 2-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one?
2-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one has a molecular weight of 453.57 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one is sourced from PubChem (CID 3443150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).