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

C18H16ClN5O2 — CID 10474279

IUPACN-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12
InChIInChI=1S/C18H16ClN5O2/c1-18(2,3)16(25)22-17-20-12-7-6-10(19)9-11(12)15-21-14(23-24(15)17)13-5-4-8-26-13/h4-9H,1-3H3,(H,20,22,25)
InChIKeyMSOAYFNBOPBNFL-UHFFFAOYSA-N
MW369.81 g/mol
LogP4.18
Rot. Bonds2

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

N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-dimethylpropanamide (PubChem CID 10474279) 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]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-dimethylpropanamide
PubChem CID10474279
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]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12
InChIInChI=1S/C18H16ClN5O2/c1-18(2,3)16(25)22-17-20-12-7-6-10(19)9-11(12)15-21-14(23-24(15)17)13-5-4-8-26-13/h4-9H,1-3H3,(H,20,22,25)
InChIKeyMSOAYFNBOPBNFL-UHFFFAOYSA-N
XLogP4.18
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 54.18
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]-2,2-dimethylpropanamide?
The IUPAC name of N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-dimethylpropanamide (CID 10474279) is N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=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]-2,2-dimethylpropanamide?
The InChIKey is MSOAYFNBOPBNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-18(2,3)16(25)22-17-20-12-7-6-10(19)9-11(12)15-21-14(23-24(15)17)13-5-4-8-26-13/h4-9H,1-3H3,(H,20,22,25).
What are the key properties of N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-dimethylpropanamide?
N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2,2-dimethylpropanamide has a molecular weight of 369.81 g/mol, XLogP of 4.18, 2 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 10474279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).