3-[[(2S)-2-ethylmorpholin-4-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide

C17H22N4O3 — CID 34895099

IUPAC3-[[(2S)-2-ethylmorpholin-4-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide
SMILESCC[C@H]1CN(Cn2nc(C(=O)NC)c3ccccc3c2=O)CCO1
InChIInChI=1S/C17H22N4O3/c1-3-12-10-20(8-9-24-12)11-21-17(23)14-7-5-4-6-13(14)15(19-21)16(22)18-2/h4-7,12H,3,8-11H2,1-2H3,(H,18,22)/t12-/m0/s1
InChIKeyOLQBNFCYMRGBEK-LBPRGKRZSA-N
MW330.39 g/mol
LogP0.82
Rot. Bonds4

About 3-[[(2S)-2-ethylmorpholin-4-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide

3-[[(2S)-2-ethylmorpholin-4-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 34895099) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-[[(2S)-2-ethylmorpholin-4-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-[[(2S)-2-ethylmorpholin-4-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide
PubChem CID34895099
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name3-[[(2S)-2-ethylmorpholin-4-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide
SMILESCC[C@H]1CN(Cn2nc(C(=O)NC)c3ccccc3c2=O)CCO1
InChIInChI=1S/C17H22N4O3/c1-3-12-10-20(8-9-24-12)11-21-17(23)14-7-5-4-6-13(14)15(19-21)16(22)18-2/h4-7,12H,3,8-11H2,1-2H3,(H,18,22)/t12-/m0/s1
InChIKeyOLQBNFCYMRGBEK-LBPRGKRZSA-N
XLogP0.82
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide
CID 30661628
3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide
CID 167831678
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 46684563
3-[[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide
CID 25361189
3-(2-hydroxy-2-phenylethyl)-N-methyl-4-oxophthalazine-1-carboxamide
CID 42942523
3-[[2-(aminomethyl)morpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
CID 114398730
2-[(2-ethylmorpholin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-3-thione
CID 42884793
3-[3-(4-cyanooxan-4-yl)propyl]-N-methyl-4-oxophthalazine-1-carboxamide
CID 167881409
3-[2-(methylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2363202
1-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-3-(2-morpholin-4-ylethyl)thiourea
CID 8746128
2-benzyl-4-[(2R)-2-methylmorpholine-4-carbonyl]phthalazin-1-one
CID 41247250
3-[2-(3-ethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide
CID 18156584

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-ethylmorpholin-4-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-[[(2S)-2-ethylmorpholin-4-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide (CID 34895099) is 3-[[(2S)-2-ethylmorpholin-4-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-[[(2S)-2-ethylmorpholin-4-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-[[(2S)-2-ethylmorpholin-4-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide is CC[C@H]1CN(Cn2nc(C(=O)NC)c3ccccc3c2=O)CCO1.
What is the InChIKey of 3-[[(2S)-2-ethylmorpholin-4-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is OLQBNFCYMRGBEK-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-12-10-20(8-9-24-12)11-21-17(23)14-7-5-4-6-13(14)15(19-21)16(22)18-2/h4-7,12H,3,8-11H2,1-2H3,(H,18,22)/t12-/m0/s1.
What are the key properties of 3-[[(2S)-2-ethylmorpholin-4-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide?
3-[[(2S)-2-ethylmorpholin-4-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-ethylmorpholin-4-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 34895099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).