N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)acetamide

C19H16ClN5O3 — CID 5308993

IUPACN-(5-chloro-2-methoxyphenyl)-2-(2-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1c(=O)n2nc(C)nc2c2ccccc21
InChIInChI=1S/C19H16ClN5O3/c1-11-21-18-13-5-3-4-6-15(13)24(19(27)25(18)23-11)10-17(26)22-14-9-12(20)7-8-16(14)28-2/h3-9H,10H2,1-2H3,(H,22,26)
InChIKeyDFSFHVXNVXSAPX-UHFFFAOYSA-N
MW397.82 g/mol
LogP2.65
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)acetamide (PubChem CID 5308993) has the molecular formula C19H16ClN5O3 and a molecular weight of 397.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(2-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)acetamide
PubChem CID5308993
Molecular FormulaC19H16ClN5O3
Molecular Weight397.82 g/mol
Exact Mass397.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(2-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1c(=O)n2nc(C)nc2c2ccccc21
InChIInChI=1S/C19H16ClN5O3/c1-11-21-18-13-5-3-4-6-15(13)24(19(27)25(18)23-11)10-17(26)22-14-9-12(20)7-8-16(14)28-2/h3-9H,10H2,1-2H3,(H,22,26)
InChIKeyDFSFHVXNVXSAPX-UHFFFAOYSA-N
XLogP2.65
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)acetamide (CID 5308993) is N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)acetamide is COc1ccc(Cl)cc1NC(=O)Cn1c(=O)n2nc(C)nc2c2ccccc21.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)acetamide?
The InChIKey is DFSFHVXNVXSAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O3/c1-11-21-18-13-5-3-4-6-15(13)24(19(27)25(18)23-11)10-17(26)22-14-9-12(20)7-8-16(14)28-2/h3-9H,10H2,1-2H3,(H,22,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)acetamide has a molecular weight of 397.82 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)acetamide is sourced from PubChem (CID 5308993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).