N,N-diethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C19H21N3O3S — CID 1071957

IUPACN,N-diethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1
InChIInChI=1S/C19H21N3O3S/c1-3-21(4-2)17(23)13-26-19-20-16-10-6-5-9-15(16)18(24)22(19)12-14-8-7-11-25-14/h5-11H,3-4,12-13H2,1-2H3
InChIKeyRYHPXSSCDOLDOL-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.00
Rot. Bonds7

About N,N-diethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N,N-diethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 1071957) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N,N-diethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID1071957
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN,N-diethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1
InChIInChI=1S/C19H21N3O3S/c1-3-21(4-2)17(23)13-26-19-20-16-10-6-5-9-15(16)18(24)22(19)12-14-8-7-11-25-14/h5-11H,3-4,12-13H2,1-2H3
InChIKeyRYHPXSSCDOLDOL-UHFFFAOYSA-N
XLogP3.00
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N,N-diethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 1071957) is N,N-diethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N,N-diethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N,N-diethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1.
What is the InChIKey of N,N-diethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is RYHPXSSCDOLDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-3-21(4-2)17(23)13-26-19-20-16-10-6-5-9-15(16)18(24)22(19)12-14-8-7-11-25-14/h5-11H,3-4,12-13H2,1-2H3.
What are the key properties of N,N-diethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N,N-diethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 371.46 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 1071957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).