N-[(4-chlorophenyl)methyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide

C19H15ClN4O2 — CID 6623376

IUPACN-[(4-chlorophenyl)methyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
SMILESO=C(Cn1ncn2c(cc3ccccc32)c1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN4O2/c20-15-7-5-13(6-8-15)10-21-18(25)11-24-19(26)17-9-14-3-1-2-4-16(14)23(17)12-22-24/h1-9,12H,10-11H2,(H,21,25)
InChIKeyKVZQPUYDKPJUJR-UHFFFAOYSA-N
MW366.81 g/mol
LogP2.62
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide

N-[(4-chlorophenyl)methyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide (PubChem CID 6623376) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
PubChem CID6623376
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
SMILESO=C(Cn1ncn2c(cc3ccccc32)c1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN4O2/c20-15-7-5-13(6-8-15)10-21-18(25)11-24-19(26)17-9-14-3-1-2-4-16(14)23(17)12-22-24/h1-9,12H,10-11H2,(H,21,25)
InChIKeyKVZQPUYDKPJUJR-UHFFFAOYSA-N
XLogP2.62
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
CID 20884640
2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 20884947
methyl 2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetate
CID 163846216
N-[(4-chlorophenyl)methyl]-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29279329
N-[(4-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513131
2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 20892238
N-[(4-chlorophenyl)methyl]-4-(9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)butanamide
CID 20893811
N-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 7694826
2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 20884907
3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2394049
N-[(4-chlorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide
CID 46366222
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295466

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide (CID 6623376) is N-[(4-chlorophenyl)methyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide is O=C(Cn1ncn2c(cc3ccccc32)c1=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide?
The InChIKey is KVZQPUYDKPJUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c20-15-7-5-13(6-8-15)10-21-18(25)11-24-19(26)17-9-14-3-1-2-4-16(14)23(17)12-22-24/h1-9,12H,10-11H2,(H,21,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide has a molecular weight of 366.81 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide is sourced from PubChem (CID 6623376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).