2-imino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-3H-chromene-3-carboxamide

C22H20N2O3 — CID 91933426

IUPAC2-imino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-3H-chromene-3-carboxamide
SMILES[H]/N=C1\OC2=C(C(=O)CC(c3ccccc3)C2)C(c2ccccc2)C1C(N)=O
InChIInChI=1S/C22H20N2O3/c23-21(26)20-18(14-9-5-2-6-10-14)19-16(25)11-15(12-17(19)27-22(20)24)13-7-3-1-4-8-13/h1-10,15,18,20,24H,11-12H2,(H2,23,26)/b24-22-
InChIKeyACJRUOKNROMQLP-GYHWCHFESA-N
MW360.41 g/mol
LogP3.28
Rot. Bonds3

About 2-imino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-3H-chromene-3-carboxamide

2-imino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-3H-chromene-3-carboxamide (PubChem CID 91933426) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-imino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-3H-chromene-3-carboxamide.

Molecular Properties

Compound Name2-imino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-3H-chromene-3-carboxamide
PubChem CID91933426
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name2-imino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-3H-chromene-3-carboxamide
SMILES[H]/N=C1\OC2=C(C(=O)CC(c3ccccc3)C2)C(c2ccccc2)C1C(N)=O
InChIInChI=1S/C22H20N2O3/c23-21(26)20-18(14-9-5-2-6-10-14)19-16(25)11-15(12-17(19)27-22(20)24)13-7-3-1-4-8-13/h1-10,15,18,20,24H,11-12H2,(H2,23,26)/b24-22-
InChIKeyACJRUOKNROMQLP-GYHWCHFESA-N
XLogP3.28
TPSA93.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-imino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-3H-chromene-3-carboxamide with MolForge

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Related Compounds

2-imino-4-(4-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-chromene-3-carbonitrile
CID 91934229
4-(2,3-dimethoxyphenyl)-2-imino-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-chromene-3-carbonitrile
CID 91934227
9-[4-(dimethylamino)phenyl]-3,6-diphenyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
CID 46243563
(4R,7S)-2-amino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 42533868
(4S,7S)-2-amino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 42533869
9-[3-[3,6-bis(3,4-dimethoxyphenyl)-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl]phenyl]-3,6-bis(3,4-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
CID 71595189
N-[4-[(4S,7S)-2-amino-3-cyano-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromen-4-yl]phenyl]acetamide
CID 1068125
methyl (4R,7S)-2-amino-5-oxo-7-phenyl-4-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carboxylate
CID 92848482
4-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-2-imino-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-chromene-3-carbonitrile
CID 91934222
propan-2-yl (4S,7R)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6968530
methyl (4R,7S)-2-amino-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate
CID 92698902
(4S,7S)-2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 1068093

Frequently Asked Questions

What is the IUPAC name of 2-imino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-3H-chromene-3-carboxamide?
The IUPAC name of 2-imino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-3H-chromene-3-carboxamide (CID 91933426) is 2-imino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-3H-chromene-3-carboxamide.
What is the SMILES notation for 2-imino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-3H-chromene-3-carboxamide?
The canonical SMILES for 2-imino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-3H-chromene-3-carboxamide is [H]/N=C1\OC2=C(C(=O)CC(c3ccccc3)C2)C(c2ccccc2)C1C(N)=O.
What is the InChIKey of 2-imino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-3H-chromene-3-carboxamide?
The InChIKey is ACJRUOKNROMQLP-GYHWCHFESA-N. The full InChI is InChI=1S/C22H20N2O3/c23-21(26)20-18(14-9-5-2-6-10-14)19-16(25)11-15(12-17(19)27-22(20)24)13-7-3-1-4-8-13/h1-10,15,18,20,24H,11-12H2,(H2,23,26)/b24-22-.
What are the key properties of 2-imino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-3H-chromene-3-carboxamide?
2-imino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-3H-chromene-3-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-3H-chromene-3-carboxamide is sourced from PubChem (CID 91933426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).