5-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-8-[4-(tritritiomethyl)piperazin-1-yl]chromene-2-carboxamide

C26H30N4O4 — CID 25067576

IUPAC5-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-8-[4-(tritritiomethyl)piperazin-1-yl]chromene-2-carboxamide
SMILES[3H]C([3H])([3H])N1CCN(c2ccc(C)c3c(=O)cc(C(=O)Nc4ccc(N5CCOCC5)cc4)oc23)CC1
InChIInChI=1S/C26H30N4O4/c1-18-3-8-21(30-11-9-28(2)10-12-30)25-24(18)22(31)17-23(34-25)26(32)27-19-4-6-20(7-5-19)29-13-15-33-16-14-29/h3-8,17H,9-16H2,1-2H3,(H,27,32)/i2T3
InChIKeyJKPWOPNZKYPRPZ-BHTRQJOGSA-N
MW468.57 g/mol
LogP2.94
Rot. Bonds5

About 5-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-8-[4-(tritritiomethyl)piperazin-1-yl]chromene-2-carboxamide

5-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-8-[4-(tritritiomethyl)piperazin-1-yl]chromene-2-carboxamide (PubChem CID 25067576) has the molecular formula C26H30N4O4 and a molecular weight of 468.57 g/mol. Its IUPAC name is 5-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-8-[4-(tritritiomethyl)piperazin-1-yl]chromene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-8-[4-(tritritiomethyl)piperazin-1-yl]chromene-2-carboxamide
PubChem CID25067576
Molecular FormulaC26H30N4O4
Molecular Weight468.57 g/mol
Exact Mass468.25
IUPAC Name5-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-8-[4-(tritritiomethyl)piperazin-1-yl]chromene-2-carboxamide
SMILES[3H]C([3H])([3H])N1CCN(c2ccc(C)c3c(=O)cc(C(=O)Nc4ccc(N5CCOCC5)cc4)oc23)CC1
InChIInChI=1S/C26H30N4O4/c1-18-3-8-21(30-11-9-28(2)10-12-30)25-24(18)22(31)17-23(34-25)26(32)27-19-4-6-20(7-5-19)29-13-15-33-16-14-29/h3-8,17H,9-16H2,1-2H3,(H,27,32)/i2T3
InChIKeyJKPWOPNZKYPRPZ-BHTRQJOGSA-N
XLogP2.94
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.57
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

AZ-10419369 C-11
CID 42608431
Azd-1134
CID 9830790
6-fluoro-N-[3-fluoro-4-(morpholin-4-yl)phenyl]-8-(4-methylpiperazin-1-yl)-4-oxo-4H-chromene-2-carboxamide
CID 23533308
(2R)-8-(4-(111C)methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 168276961
8-(4-(111C)methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 168279879
methyl 4-[4-[[6-fluoro-8-(4-(111C)methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carbonyl]amino]phenyl]piperazine-1-carboxylate
CID 168282951
(2S)-8-(4-(111C)methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 168290023
2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide
CID 2151930
2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide
CID 4572321
N-(2-methoxyphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide
CID 7385118
7-[4-(3,4-Dimethyl-phenyl)-piperazin-1-ylmethyl]-4H-benzo[1,4]oxazin-3-one
CID 9946469
7-fluoro-4-oxo-N-(1-(3-oxo-2,3,4,6,7,8-hexahydroindeno[5,6-b][1,4]oxazin-6-yl)piperidin-4-yl)-4H-chromene-2-carboxamide
CID 44417899

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-8-[4-(tritritiomethyl)piperazin-1-yl]chromene-2-carboxamide?
The IUPAC name of 5-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-8-[4-(tritritiomethyl)piperazin-1-yl]chromene-2-carboxamide (CID 25067576) is 5-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-8-[4-(tritritiomethyl)piperazin-1-yl]chromene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-8-[4-(tritritiomethyl)piperazin-1-yl]chromene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-8-[4-(tritritiomethyl)piperazin-1-yl]chromene-2-carboxamide is [3H]C([3H])([3H])N1CCN(c2ccc(C)c3c(=O)cc(C(=O)Nc4ccc(N5CCOCC5)cc4)oc23)CC1.
What is the InChIKey of 5-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-8-[4-(tritritiomethyl)piperazin-1-yl]chromene-2-carboxamide?
The InChIKey is JKPWOPNZKYPRPZ-BHTRQJOGSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-18-3-8-21(30-11-9-28(2)10-12-30)25-24(18)22(31)17-23(34-25)26(32)27-19-4-6-20(7-5-19)29-13-15-33-16-14-29/h3-8,17H,9-16H2,1-2H3,(H,27,32)/i2T3.
What are the key properties of 5-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-8-[4-(tritritiomethyl)piperazin-1-yl]chromene-2-carboxamide?
5-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-8-[4-(tritritiomethyl)piperazin-1-yl]chromene-2-carboxamide has a molecular weight of 468.57 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-8-[4-(tritritiomethyl)piperazin-1-yl]chromene-2-carboxamide is sourced from PubChem (CID 25067576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).