N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]pentanamide

C18H16ClN5O2 — CID 10642873

IUPACN-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]pentanamide
SMILESCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12
InChIInChI=1S/C18H16ClN5O2/c1-2-3-6-15(25)21-18-20-13-8-7-11(19)10-12(13)17-22-16(23-24(17)18)14-5-4-9-26-14/h4-5,7-10H,2-3,6H2,1H3,(H,20,21,25)
InChIKeyMOULBCUUFREKFV-UHFFFAOYSA-N
MW369.81 g/mol
LogP4.32
Rot. Bonds5

About N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]pentanamide

N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]pentanamide (PubChem CID 10642873) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]pentanamide.

Molecular Properties

Compound NameN-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]pentanamide
PubChem CID10642873
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC NameN-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]pentanamide
SMILESCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12
InChIInChI=1S/C18H16ClN5O2/c1-2-3-6-15(25)21-18-20-13-8-7-11(19)10-12(13)17-22-16(23-24(17)18)14-5-4-9-26-14/h4-5,7-10H,2-3,6H2,1H3,(H,20,21,25)
InChIKeyMOULBCUUFREKFV-UHFFFAOYSA-N
XLogP4.32
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]pentanamide?
The IUPAC name of N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]pentanamide (CID 10642873) is N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]pentanamide.
What is the SMILES notation for N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]pentanamide?
The canonical SMILES for N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]pentanamide is CCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12.
What is the InChIKey of N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]pentanamide?
The InChIKey is MOULBCUUFREKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-2-3-6-15(25)21-18-20-13-8-7-11(19)10-12(13)17-22-16(23-24(17)18)14-5-4-9-26-14/h4-5,7-10H,2-3,6H2,1H3,(H,20,21,25).
What are the key properties of N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]pentanamide?
N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]pentanamide has a molecular weight of 369.81 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]pentanamide is sourced from PubChem (CID 10642873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).