N-(2-hydroxyethyl)-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide

C19H19N3O3 — CID 941315

IUPACN-(2-hydroxyethyl)-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
SMILESCN(CCO)C(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O3/c1-21(11-12-23)18(24)14-9-7-13(8-10-14)17-15-5-3-4-6-16(15)19(25)22(2)20-17/h3-10,23H,11-12H2,1-2H3
InChIKeyZRIBREJXXSPQKT-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.66
Rot. Bonds4

About N-(2-hydroxyethyl)-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide

N-(2-hydroxyethyl)-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide (PubChem CID 941315) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
PubChem CID941315
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(2-hydroxyethyl)-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
SMILESCN(CCO)C(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O3/c1-21(11-12-23)18(24)14-9-7-13(8-10-14)17-15-5-3-4-6-16(15)19(25)22(2)20-17/h3-10,23H,11-12H2,1-2H3
InChIKeyZRIBREJXXSPQKT-UHFFFAOYSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Benzyl-1-oxophthalazin-2(1H)-yl)acetic acid
CID 646907
2-(4-Methyl-1-oxo-1,2-dihydrophthalazin-2-yl)acetic acid
CID 819380
Talastine
CID 65624
2-[2-(diethylamino)ethyl]indeno[1,2,3-de]phthalazin-3(2H)-one
CID 2052803
4-[(4-Fluoro-3-{[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25132258
4-[(4-Fluoro-3-{[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25133629
2-Methyl-4-(phenylmethyl)phthalazin-1-one
CID 619552
Ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate
CID 895376
N,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide
CID 738018
(1-Oxo-4-phenyl-2(1H)-phthalazinyl)acetic acid
CID 819382
4-[(3-{[4-(2-Hydroxyethyl)-1,4-diazepan-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25132257
4-[(3-{[4-(2-Hydroxyethyl)piperazin-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25133283

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide (CID 941315) is N-(2-hydroxyethyl)-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide is CN(CCO)C(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The InChIKey is ZRIBREJXXSPQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-21(11-12-23)18(24)14-9-7-13(8-10-14)17-15-5-3-4-6-16(15)19(25)22(2)20-17/h3-10,23H,11-12H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
N-(2-hydroxyethyl)-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide has a molecular weight of 337.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide is sourced from PubChem (CID 941315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).