N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-2,7-dimethylquinoline-3-carboxamide

C22H19N5O4 — CID 49492237

IUPACN-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-2,7-dimethylquinoline-3-carboxamide
SMILESCc1ccc2cc(C(=O)NCC(=O)Nc3cccc4c(=O)[nH][nH]c(=O)c34)c(C)nc2c1
InChIInChI=1S/C22H19N5O4/c1-11-6-7-13-9-15(12(2)24-17(13)8-11)20(29)23-10-18(28)25-16-5-3-4-14-19(16)22(31)27-26-21(14)30/h3-9H,10H2,1-2H3,(H,23,29)(H,25,28)(H,26,30)(H,27,31)
InChIKeyJHEYMSBFQNKKEK-UHFFFAOYSA-N
MW417.43 g/mol
LogP1.75
Rot. Bonds4

About N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-2,7-dimethylquinoline-3-carboxamide

N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-2,7-dimethylquinoline-3-carboxamide (PubChem CID 49492237) has the molecular formula C22H19N5O4 and a molecular weight of 417.43 g/mol. Its IUPAC name is N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-2,7-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-2,7-dimethylquinoline-3-carboxamide
PubChem CID49492237
Molecular FormulaC22H19N5O4
Molecular Weight417.43 g/mol
Exact Mass417.14
IUPAC NameN-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-2,7-dimethylquinoline-3-carboxamide
SMILESCc1ccc2cc(C(=O)NCC(=O)Nc3cccc4c(=O)[nH][nH]c(=O)c34)c(C)nc2c1
InChIInChI=1S/C22H19N5O4/c1-11-6-7-13-9-15(12(2)24-17(13)8-11)20(29)23-10-18(28)25-16-5-3-4-14-19(16)22(31)27-26-21(14)30/h3-9H,10H2,1-2H3,(H,23,29)(H,25,28)(H,26,30)(H,27,31)
InChIKeyJHEYMSBFQNKKEK-UHFFFAOYSA-N
XLogP1.75
TPSA136.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-2,7-dimethylquinoline-3-carboxamide with MolForge

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Related Compounds

4-chloro-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]benzamide
CID 48735941
N-(3-hydroxypropyl)-2,7-dimethylquinoline-3-carboxamide
CID 78870006
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 48735974
N-(4-amino-4-oxobutyl)-2,7-dimethylquinoline-3-carboxamide
CID 56812703
2,6-dimethyl-N-(2-methylphenyl)quinoline-3-carboxamide
CID 51283578
2-cyclohexyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide
CID 48735915
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,7-dimethylquinoline-3-carboxamide
CID 55912071
N-(1H-indol-4-yl)-2,6-dimethylquinoline-3-carboxamide
CID 47093054
1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea
CID 27190754
N-[3-[[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 49492296
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide
CID 94802760
N-[[4-(difluoromethoxy)phenyl]methyl]-2,7-dimethylquinoline-3-carboxamide
CID 38797474

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-2,7-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-2,7-dimethylquinoline-3-carboxamide (CID 49492237) is N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-2,7-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-2,7-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-2,7-dimethylquinoline-3-carboxamide is Cc1ccc2cc(C(=O)NCC(=O)Nc3cccc4c(=O)[nH][nH]c(=O)c34)c(C)nc2c1.
What is the InChIKey of N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-2,7-dimethylquinoline-3-carboxamide?
The InChIKey is JHEYMSBFQNKKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4/c1-11-6-7-13-9-15(12(2)24-17(13)8-11)20(29)23-10-18(28)25-16-5-3-4-14-19(16)22(31)27-26-21(14)30/h3-9H,10H2,1-2H3,(H,23,29)(H,25,28)(H,26,30)(H,27,31).
What are the key properties of N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-2,7-dimethylquinoline-3-carboxamide?
N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-2,7-dimethylquinoline-3-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 1.75, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-2,7-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 49492237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).