3-cyclopentyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one

C20H26N4O2S — CID 78764352

IUPAC3-cyclopentyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
SMILESCN1CCN(C(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)CC1
InChIInChI=1S/C20H26N4O2S/c1-22-10-12-23(13-11-22)18(25)14-27-20-21-17-9-5-4-8-16(17)19(26)24(20)15-6-2-3-7-15/h4-5,8-9,15H,2-3,6-7,10-14H2,1H3
InChIKeyGYJLDUUUOQNQMX-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.38
Rot. Bonds4

About 3-cyclopentyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one

3-cyclopentyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one (PubChem CID 78764352) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-cyclopentyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
PubChem CID78764352
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name3-cyclopentyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
SMILESCN1CCN(C(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)CC1
InChIInChI=1S/C20H26N4O2S/c1-22-10-12-23(13-11-22)18(25)14-27-20-21-17-9-5-4-8-16(17)19(26)24(20)15-6-2-3-7-15/h4-5,8-9,15H,2-3,6-7,10-14H2,1H3
InChIKeyGYJLDUUUOQNQMX-UHFFFAOYSA-N
XLogP2.38
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclohexyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 1213864
3-cyclohexyl-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 42968012
3-cyclopentyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one
CID 41380703
3-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
CID 8979691
3-cyclohexyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 24605212
3-cyclopentyl-2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 7988444
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 9362378
2-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]sulfanyl-3-cyclopropylquinazolin-4-one
CID 8981753
3-cyclopropyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one
CID 41402253
(3R)-1-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide
CID 8981662
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 1071921
N-butan-2-yl-2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 51141133

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one?
The IUPAC name of 3-cyclopentyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one (CID 78764352) is 3-cyclopentyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one is CN1CCN(C(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)CC1.
What is the InChIKey of 3-cyclopentyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one?
The InChIKey is GYJLDUUUOQNQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-22-10-12-23(13-11-22)18(25)14-27-20-21-17-9-5-4-8-16(17)19(26)24(20)15-6-2-3-7-15/h4-5,8-9,15H,2-3,6-7,10-14H2,1H3.
What are the key properties of 3-cyclopentyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one?
3-cyclopentyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one has a molecular weight of 386.52 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one is sourced from PubChem (CID 78764352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).