2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide

C24H29N5O3S — CID 2937604

IUPAC2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCCC(Sc1nc2ccccc2c(=O)n1CCN1CCOCC1)C(=O)NCc1cccnc1
InChIInChI=1S/C24H29N5O3S/c1-2-21(22(30)26-17-18-6-5-9-25-16-18)33-24-27-20-8-4-3-7-19(20)23(31)29(24)11-10-28-12-14-32-15-13-28/h3-9,16,21H,2,10-15,17H2,1H3,(H,26,30)
InChIKeyYCCKCXCFUTVGFU-UHFFFAOYSA-N
MW467.60 g/mol
LogP2.31
Rot. Bonds9

About 2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide

2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 2937604) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is 2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide
PubChem CID2937604
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC Name2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCCC(Sc1nc2ccccc2c(=O)n1CCN1CCOCC1)C(=O)NCc1cccnc1
InChIInChI=1S/C24H29N5O3S/c1-2-21(22(30)26-17-18-6-5-9-25-16-18)33-24-27-20-8-4-3-7-19(20)23(31)29(24)11-10-28-12-14-32-15-13-28/h3-9,16,21H,2,10-15,17H2,1H3,(H,26,30)
InChIKeyYCCKCXCFUTVGFU-UHFFFAOYSA-N
XLogP2.31
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide (CID 2937604) is 2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide is CCC(Sc1nc2ccccc2c(=O)n1CCN1CCOCC1)C(=O)NCc1cccnc1.
What is the InChIKey of 2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is YCCKCXCFUTVGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-2-21(22(30)26-17-18-6-5-9-25-16-18)33-24-27-20-8-4-3-7-19(20)23(31)29(24)11-10-28-12-14-32-15-13-28/h3-9,16,21H,2,10-15,17H2,1H3,(H,26,30).
What are the key properties of 2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide?
2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 467.60 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 2937604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).