3-methyl-4-oxo-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)chromene-8-carboxamide

C22H20N4O3 — CID 71701538

IUPAC3-methyl-4-oxo-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)chromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)Nc3n[nH]c(C(C)C)n3)cccc2c1=O
InChIInChI=1S/C22H20N4O3/c1-12(2)20-23-22(26-25-20)24-21(28)16-11-7-10-15-17(27)13(3)18(29-19(15)16)14-8-5-4-6-9-14/h4-12H,1-3H3,(H2,23,24,25,26,28)
InChIKeyCCGJJDJGGNKUMW-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.26
Rot. Bonds4

About 3-methyl-4-oxo-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)chromene-8-carboxamide

3-methyl-4-oxo-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)chromene-8-carboxamide (PubChem CID 71701538) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-methyl-4-oxo-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)chromene-8-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)chromene-8-carboxamide
PubChem CID71701538
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name3-methyl-4-oxo-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)chromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)Nc3n[nH]c(C(C)C)n3)cccc2c1=O
InChIInChI=1S/C22H20N4O3/c1-12(2)20-23-22(26-25-20)24-21(28)16-11-7-10-15-17(27)13(3)18(29-19(15)16)14-8-5-4-6-9-14/h4-12H,1-3H3,(H2,23,24,25,26,28)
InChIKeyCCGJJDJGGNKUMW-UHFFFAOYSA-N
XLogP4.26
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-4-oxo-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)chromene-8-carboxamide with MolForge

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Related Compounds

3-methyl-N-(3-methyl-2-pyridinyl)-4-oxo-2-phenylchromene-8-carboxamide
CID 42537286
N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8779941
N-(5-fluoro-2-methylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 9097604
3-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide
CID 78890315
N-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8884598
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 52706882
N-[2-(difluoromethoxy)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 26894946
2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid
CID 166207623
[(2S)-1-anilino-1-oxopropan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 41078717
3-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-2-phenylchromene-8-carboxamide
CID 2456791
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 16505519
N-[2-fluoro-6-(1,2,4-triazol-1-yl)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 166201199

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)chromene-8-carboxamide?
The IUPAC name of 3-methyl-4-oxo-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)chromene-8-carboxamide (CID 71701538) is 3-methyl-4-oxo-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)chromene-8-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)chromene-8-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)chromene-8-carboxamide is Cc1c(-c2ccccc2)oc2c(C(=O)Nc3n[nH]c(C(C)C)n3)cccc2c1=O.
What is the InChIKey of 3-methyl-4-oxo-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)chromene-8-carboxamide?
The InChIKey is CCGJJDJGGNKUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-12(2)20-23-22(26-25-20)24-21(28)16-11-7-10-15-17(27)13(3)18(29-19(15)16)14-8-5-4-6-9-14/h4-12H,1-3H3,(H2,23,24,25,26,28).
What are the key properties of 3-methyl-4-oxo-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)chromene-8-carboxamide?
3-methyl-4-oxo-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)chromene-8-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)chromene-8-carboxamide is sourced from PubChem (CID 71701538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).