2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one

C26H28N4O3S — CID 2109573

IUPAC2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
SMILESCc1[nH]c2ccccc2c1C(=O)CSc1nc2ccccc2c(=O)n1CCCN1CCOCC1
InChIInChI=1S/C26H28N4O3S/c1-18-24(19-7-2-4-9-21(19)27-18)23(31)17-34-26-28-22-10-5-3-8-20(22)25(32)30(26)12-6-11-29-13-15-33-16-14-29/h2-5,7-10,27H,6,11-17H2,1H3
InChIKeyKZGMKLFTZNZHPY-UHFFFAOYSA-N
MW476.60 g/mol
LogP3.88
Rot. Bonds8

About 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one

2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one (PubChem CID 2109573) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
PubChem CID2109573
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC Name2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
SMILESCc1[nH]c2ccccc2c1C(=O)CSc1nc2ccccc2c(=O)n1CCCN1CCOCC1
InChIInChI=1S/C26H28N4O3S/c1-18-24(19-7-2-4-9-21(19)27-18)23(31)17-34-26-28-22-10-5-3-8-20(22)25(32)30(26)12-6-11-29-13-15-33-16-14-29/h2-5,7-10,27H,6,11-17H2,1H3
InChIKeyKZGMKLFTZNZHPY-UHFFFAOYSA-N
XLogP3.88
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one with MolForge

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Related Compounds

Rutaecarpine
CID 65752
Evodiamine, derivative of
CID 156372
2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1R)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 156010672
3-(2-Diethylamino-acetamino)-rutaecarpine
CID 44623996
3-(2-Diethylamino-propionamino)-rutaecarpine
CID 44624062
2-(2-methyl-1H-indol-3-yl)-2-oxoethyl morpholine-4-carbodithioate
CID 942297
3-(2-hydroxyethyl)-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one
CID 5732079
6-(morpholine-4-carbonyl)-3-phenyl-9H-carbazole-1-carboxamide
CID 66604394
3-benzyl-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66604576
2-[3-(1,3,4,9-Tetrahydro-beta-carbolin-2-yl)-propyl]-3H-quinazolin-4-one
CID 135519366
1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-yl-2-oxoethanone
CID 2992400
Dehydroevodiamine Chloride
CID 156371

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one?
The IUPAC name of 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one (CID 2109573) is 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one.
What is the SMILES notation for 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one?
The canonical SMILES for 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one is Cc1[nH]c2ccccc2c1C(=O)CSc1nc2ccccc2c(=O)n1CCCN1CCOCC1.
What is the InChIKey of 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one?
The InChIKey is KZGMKLFTZNZHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-18-24(19-7-2-4-9-21(19)27-18)23(31)17-34-26-28-22-10-5-3-8-20(22)25(32)30(26)12-6-11-29-13-15-33-16-14-29/h2-5,7-10,27H,6,11-17H2,1H3.
What are the key properties of 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one?
2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one has a molecular weight of 476.60 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one is sourced from PubChem (CID 2109573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).