N-(2,4-dichlorophenyl)-7-fluoro-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide

C16H8Cl2FN5O2 — CID 29139488

IUPACN-(2,4-dichlorophenyl)-7-fluoro-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1n[nH]n2c1nc(=O)c1cc(F)ccc12
InChIInChI=1S/C16H8Cl2FN5O2/c17-7-1-3-11(10(18)5-7)20-16(26)13-14-21-15(25)9-6-8(19)2-4-12(9)24(14)23-22-13/h1-6,23H,(H,20,26)
InChIKeyJQHXCPBTXJRRMA-UHFFFAOYSA-N
MW392.18 g/mol
LogP3.27
Rot. Bonds2

About N-(2,4-dichlorophenyl)-7-fluoro-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide

N-(2,4-dichlorophenyl)-7-fluoro-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 29139488) has the molecular formula C16H8Cl2FN5O2 and a molecular weight of 392.18 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-7-fluoro-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-7-fluoro-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID29139488
Molecular FormulaC16H8Cl2FN5O2
Molecular Weight392.18 g/mol
Exact Mass391.00
IUPAC NameN-(2,4-dichlorophenyl)-7-fluoro-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1n[nH]n2c1nc(=O)c1cc(F)ccc12
InChIInChI=1S/C16H8Cl2FN5O2/c17-7-1-3-11(10(18)5-7)20-16(26)13-14-21-15(25)9-6-8(19)2-4-12(9)24(14)23-22-13/h1-6,23H,(H,20,26)
InChIKeyJQHXCPBTXJRRMA-UHFFFAOYSA-N
XLogP3.27
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.18
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-7-fluoro-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-7-fluoro-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide (CID 29139488) is N-(2,4-dichlorophenyl)-7-fluoro-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-7-fluoro-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-7-fluoro-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1n[nH]n2c1nc(=O)c1cc(F)ccc12.
What is the InChIKey of N-(2,4-dichlorophenyl)-7-fluoro-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is JQHXCPBTXJRRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2FN5O2/c17-7-1-3-11(10(18)5-7)20-16(26)13-14-21-15(25)9-6-8(19)2-4-12(9)24(14)23-22-13/h1-6,23H,(H,20,26).
What are the key properties of N-(2,4-dichlorophenyl)-7-fluoro-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide?
N-(2,4-dichlorophenyl)-7-fluoro-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 392.18 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-7-fluoro-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 29139488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).