N-(furan-2-ylmethyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide

C23H26N4O4S — CID 3238610

IUPACN-(furan-2-ylmethyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1CCCC(=O)N1CCCC1)NCc1ccco1
InChIInChI=1S/C23H26N4O4S/c28-20(24-15-17-7-6-14-31-17)16-32-23-25-19-9-2-1-8-18(19)22(30)27(23)13-5-10-21(29)26-11-3-4-12-26/h1-2,6-9,14H,3-5,10-13,15-16H2,(H,24,28)
InChIKeyBHQJONRGUZJZMA-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.80
Rot. Bonds9

About N-(furan-2-ylmethyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide

N-(furan-2-ylmethyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide (PubChem CID 3238610) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide
PubChem CID3238610
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC NameN-(furan-2-ylmethyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1CCCC(=O)N1CCCC1)NCc1ccco1
InChIInChI=1S/C23H26N4O4S/c28-20(24-15-17-7-6-14-31-17)16-32-23-25-19-9-2-1-8-18(19)22(30)27(23)13-5-10-21(29)26-11-3-4-12-26/h1-2,6-9,14H,3-5,10-13,15-16H2,(H,24,28)
InChIKeyBHQJONRGUZJZMA-UHFFFAOYSA-N
XLogP2.80
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide (CID 3238610) is N-(furan-2-ylmethyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide is O=C(CSc1nc2ccccc2c(=O)n1CCCC(=O)N1CCCC1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is BHQJONRGUZJZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c28-20(24-15-17-7-6-14-31-17)16-32-23-25-19-9-2-1-8-18(19)22(30)27(23)13-5-10-21(29)26-11-3-4-12-26/h1-2,6-9,14H,3-5,10-13,15-16H2,(H,24,28).
What are the key properties of N-(furan-2-ylmethyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide?
N-(furan-2-ylmethyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 454.55 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 3238610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).