2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one

C25H28N4O3S — CID 2161219

IUPAC2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
SMILESO=C(CSc1nc2ccccc2c(=O)n1CCCN1CCOCC1)N1CCc2ccccc21
InChIInChI=1S/C25H28N4O3S/c30-23(28-13-10-19-6-1-4-9-22(19)28)18-33-25-26-21-8-3-2-7-20(21)24(31)29(25)12-5-11-27-14-16-32-17-15-27/h1-4,6-9H,5,10-18H2
InChIKeyVCYDXVLXDGIKKI-UHFFFAOYSA-N
MW464.59 g/mol
LogP2.80
Rot. Bonds7

About 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one (PubChem CID 2161219) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
PubChem CID2161219
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
SMILESO=C(CSc1nc2ccccc2c(=O)n1CCCN1CCOCC1)N1CCc2ccccc21
InChIInChI=1S/C25H28N4O3S/c30-23(28-13-10-19-6-1-4-9-22(19)28)18-33-25-26-21-8-3-2-7-20(21)24(31)29(25)12-5-11-27-14-16-32-17-15-27/h1-4,6-9H,5,10-18H2
InChIKeyVCYDXVLXDGIKKI-UHFFFAOYSA-N
XLogP2.80
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2087616
N-(1,3-benzodioxol-5-yl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2125175
N-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4064442
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3,5-dimethylphenyl)quinazolin-4-one
CID 3945450
2-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
CID 4805168
3-(3-chlorophenyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 2081724
2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
CID 24618686
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
CID 26843630
3-(3-methylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
CID 16517277
3-(3-morpholin-4-ylpropyl)-2-[(1R)-2-oxocyclohexyl]sulfanylquinazolin-4-one
CID 7868937
3-(3-morpholin-4-ylpropyl)-2-[(2-phenyl-1,3-thiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 4963457
2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide
CID 42902138

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one?
The IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one (CID 2161219) is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one.
What is the SMILES notation for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one?
The canonical SMILES for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one is O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCOCC1)N1CCc2ccccc21.
What is the InChIKey of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one?
The InChIKey is VCYDXVLXDGIKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c30-23(28-13-10-19-6-1-4-9-22(19)28)18-33-25-26-21-8-3-2-7-20(21)24(31)29(25)12-5-11-27-14-16-32-17-15-27/h1-4,6-9H,5,10-18H2.
What are the key properties of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one?
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one has a molecular weight of 464.59 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one is sourced from PubChem (CID 2161219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).