2-[3-[2-(diethylamino)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide

C25H30N4O2S — CID 4795518

IUPAC2-[3-[2-(diethylamino)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESCCN(CC)CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2ccccc2c1=O
InChIInChI=1S/C25H30N4O2S/c1-3-28(4-2)14-15-29-24(31)21-10-5-6-11-22(21)27-25(29)32-17-23(30)26-20-13-12-18-8-7-9-19(18)16-20/h5-6,10-13,16H,3-4,7-9,14-15,17H2,1-2H3,(H,26,30)
InChIKeyVMGJWWCWZSFPKS-UHFFFAOYSA-N
MW450.61 g/mol
LogP3.96
Rot. Bonds9

About 2-[3-[2-(diethylamino)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide

2-[3-[2-(diethylamino)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 4795518) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is 2-[3-[2-(diethylamino)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound Name2-[3-[2-(diethylamino)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID4795518
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC Name2-[3-[2-(diethylamino)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESCCN(CC)CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2ccccc2c1=O
InChIInChI=1S/C25H30N4O2S/c1-3-28(4-2)14-15-29-24(31)21-10-5-6-11-22(21)27-25(29)32-17-23(30)26-20-13-12-18-8-7-9-19(18)16-20/h5-6,10-13,16H,3-4,7-9,14-15,17H2,1-2H3,(H,26,30)
InChIKeyVMGJWWCWZSFPKS-UHFFFAOYSA-N
XLogP3.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(diethylamino)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of 2-[3-[2-(diethylamino)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide (CID 4795518) is 2-[3-[2-(diethylamino)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for 2-[3-[2-(diethylamino)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for 2-[3-[2-(diethylamino)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide is CCN(CC)CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2ccccc2c1=O.
What is the InChIKey of 2-[3-[2-(diethylamino)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is VMGJWWCWZSFPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-3-28(4-2)14-15-29-24(31)21-10-5-6-11-22(21)27-25(29)32-17-23(30)26-20-13-12-18-8-7-9-19(18)16-20/h5-6,10-13,16H,3-4,7-9,14-15,17H2,1-2H3,(H,26,30).
What are the key properties of 2-[3-[2-(diethylamino)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
2-[3-[2-(diethylamino)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 450.61 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(diethylamino)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 4795518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).