2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dipropylacetamide

C21H25N3O3S — CID 4643424

IUPAC2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1
InChIInChI=1S/C21H25N3O3S/c1-3-11-23(12-4-2)19(25)15-28-21-22-18-10-6-5-9-17(18)20(26)24(21)14-16-8-7-13-27-16/h5-10,13H,3-4,11-12,14-15H2,1-2H3
InChIKeyGKTJUPLSFRATIL-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.78
Rot. Bonds9

About 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dipropylacetamide

2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dipropylacetamide (PubChem CID 4643424) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dipropylacetamide
PubChem CID4643424
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1
InChIInChI=1S/C21H25N3O3S/c1-3-11-23(12-4-2)19(25)15-28-21-22-18-10-6-5-9-17(18)20(26)24(21)14-16-8-7-13-27-16/h5-10,13H,3-4,11-12,14-15H2,1-2H3
InChIKeyGKTJUPLSFRATIL-UHFFFAOYSA-N
XLogP3.78
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dipropylacetamide?
The IUPAC name of 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dipropylacetamide (CID 4643424) is 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dipropylacetamide.
What is the SMILES notation for 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dipropylacetamide?
The canonical SMILES for 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dipropylacetamide is CCCN(CCC)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1.
What is the InChIKey of 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dipropylacetamide?
The InChIKey is GKTJUPLSFRATIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-3-11-23(12-4-2)19(25)15-28-21-22-18-10-6-5-9-17(18)20(26)24(21)14-16-8-7-13-27-16/h5-10,13H,3-4,11-12,14-15H2,1-2H3.
What are the key properties of 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dipropylacetamide?
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dipropylacetamide has a molecular weight of 399.52 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dipropylacetamide is sourced from PubChem (CID 4643424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).