2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide

C20H19N7O3 — CID 1448497

IUPAC2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide
SMILESCCn1nc(CC(=O)Nc2ccc(-n3cnnn3)c(OC)c2)c2ccccc2c1=O
InChIInChI=1S/C20H19N7O3/c1-3-26-20(29)15-7-5-4-6-14(15)16(23-26)11-19(28)22-13-8-9-17(18(10-13)30-2)27-12-21-24-25-27/h4-10,12H,3,11H2,1-2H3,(H,22,28)
InChIKeyLXAUZLJXKIQEEC-UHFFFAOYSA-N
MW405.42 g/mol
LogP1.58
Rot. Bonds6

About 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide

2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 1448497) has the molecular formula C20H19N7O3 and a molecular weight of 405.42 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID1448497
Molecular FormulaC20H19N7O3
Molecular Weight405.42 g/mol
Exact Mass405.15
IUPAC Name2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide
SMILESCCn1nc(CC(=O)Nc2ccc(-n3cnnn3)c(OC)c2)c2ccccc2c1=O
InChIInChI=1S/C20H19N7O3/c1-3-26-20(29)15-7-5-4-6-14(15)16(23-26)11-19(28)22-13-8-9-17(18(10-13)30-2)27-12-21-24-25-27/h4-10,12H,3,11H2,1-2H3,(H,22,28)
InChIKeyLXAUZLJXKIQEEC-UHFFFAOYSA-N
XLogP1.58
TPSA116.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 46952127
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one
CID 46958630
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-1H-quinolin-2-one
CID 46958631
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-7-methyl-1H-quinolin-2-one
CID 118955638
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide
CID 3224419
N-{4-[(2,2-dimethylpropanoyl)amino]-3-methoxyphenyl}-4-(1H-1,2,4-triazol-5-yl)benzamide
CID 50973742
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid (3-methoxy-4-tetrazol-1-yl-phenyl)-amide
CID 646376
2,6-difluoro-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]benzamide
CID 8033644
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 4964340
N-[2,5-Diethoxy-4-(1H-1,2,3,4-tetrazol-1-YL)phenyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)acetamide
CID 45106453
2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide
CID 3224529
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-(tetrazol-1-yl)benzamide
CID 4851124

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide (CID 1448497) is 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide is CCn1nc(CC(=O)Nc2ccc(-n3cnnn3)c(OC)c2)c2ccccc2c1=O.
What is the InChIKey of 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is LXAUZLJXKIQEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O3/c1-3-26-20(29)15-7-5-4-6-14(15)16(23-26)11-19(28)22-13-8-9-17(18(10-13)30-2)27-12-21-24-25-27/h4-10,12H,3,11H2,1-2H3,(H,22,28).
What are the key properties of 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide?
2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 405.42 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 1448497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).