N-(furan-2-ylmethyl)-3-[5-oxo-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide

C25H23N5O3 — CID 20880845

IUPACN-(furan-2-ylmethyl)-3-[5-oxo-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
SMILESO=C(CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12)NCc1ccco1
InChIInChI=1S/C25H23N5O3/c31-23(26-17-19-9-6-16-33-19)13-12-22-27-28-25-29(15-14-18-7-2-1-3-8-18)24(32)20-10-4-5-11-21(20)30(22)25/h1-11,16H,12-15,17H2,(H,26,31)
InChIKeyWIHLZMOENXGQTQ-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.13
Rot. Bonds8

About N-(furan-2-ylmethyl)-3-[5-oxo-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide

N-(furan-2-ylmethyl)-3-[5-oxo-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide (PubChem CID 20880845) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[5-oxo-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[5-oxo-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
PubChem CID20880845
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC NameN-(furan-2-ylmethyl)-3-[5-oxo-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
SMILESO=C(CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12)NCc1ccco1
InChIInChI=1S/C25H23N5O3/c31-23(26-17-19-9-6-16-33-19)13-12-22-27-28-25-29(15-14-18-7-2-1-3-8-18)24(32)20-10-4-5-11-21(20)30(22)25/h1-11,16H,12-15,17H2,(H,26,31)
InChIKeyWIHLZMOENXGQTQ-UHFFFAOYSA-N
XLogP3.13
TPSA94.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.13
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)-3-[5-oxo-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[5-oxo-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide (CID 20880845) is N-(furan-2-ylmethyl)-3-[5-oxo-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[5-oxo-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[5-oxo-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide is O=C(CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[5-oxo-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide?
The InChIKey is WIHLZMOENXGQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c31-23(26-17-19-9-6-16-33-19)13-12-22-27-28-25-29(15-14-18-7-2-1-3-8-18)24(32)20-10-4-5-11-21(20)30(22)25/h1-11,16H,12-15,17H2,(H,26,31).
What are the key properties of N-(furan-2-ylmethyl)-3-[5-oxo-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide?
N-(furan-2-ylmethyl)-3-[5-oxo-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide has a molecular weight of 441.49 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[5-oxo-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide is sourced from PubChem (CID 20880845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).