7-hydroxy-4-methyl-6,8-bis[(E)-C-methyl-N-(3-methylanilino)carbonimidoyl]chromen-2-one

C28H28N4O3 — CID 137243500

IUPAC7-hydroxy-4-methyl-6,8-bis[(E)-C-methyl-N-(3-methylanilino)carbonimidoyl]chromen-2-one
SMILESC/C(=N\Nc1cccc(C)c1)c1cc2c(C)cc(=O)oc2c(/C(C)=N/Nc2cccc(C)c2)c1O
InChIInChI=1S/C28H28N4O3/c1-16-8-6-10-21(12-16)31-29-19(4)24-15-23-18(3)14-25(33)35-28(23)26(27(24)34)20(5)30-32-22-11-7-9-17(2)13-22/h6-15,31-32,34H,1-5H3/b29-19+,30-20+
InChIKeyZXXHEEFGIKAYOO-CZYCKNNWSA-N
MW468.56 g/mol
LogP6.10
Rot. Bonds6

About 7-hydroxy-4-methyl-6,8-bis[(E)-C-methyl-N-(3-methylanilino)carbonimidoyl]chromen-2-one

7-hydroxy-4-methyl-6,8-bis[(E)-C-methyl-N-(3-methylanilino)carbonimidoyl]chromen-2-one (PubChem CID 137243500) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is 7-hydroxy-4-methyl-6,8-bis[(E)-C-methyl-N-(3-methylanilino)carbonimidoyl]chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-methyl-6,8-bis[(E)-C-methyl-N-(3-methylanilino)carbonimidoyl]chromen-2-one
PubChem CID137243500
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name7-hydroxy-4-methyl-6,8-bis[(E)-C-methyl-N-(3-methylanilino)carbonimidoyl]chromen-2-one
SMILESC/C(=N\Nc1cccc(C)c1)c1cc2c(C)cc(=O)oc2c(/C(C)=N/Nc2cccc(C)c2)c1O
InChIInChI=1S/C28H28N4O3/c1-16-8-6-10-21(12-16)31-29-19(4)24-15-23-18(3)14-25(33)35-28(23)26(27(24)34)20(5)30-32-22-11-7-9-17(2)13-22/h6-15,31-32,34H,1-5H3/b29-19+,30-20+
InChIKeyZXXHEEFGIKAYOO-CZYCKNNWSA-N
XLogP6.10
TPSA99.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 56.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-hydroxy-4-methyl-6,8-bis[(E)-C-methyl-N-(3-methylanilino)carbonimidoyl]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]aniline
CID 9060581
7-hydroxy-4-methyl-8-(3-methylbenzoyl)chromen-2-one
CID 45104722
[4-methyl-8-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]-2-oxochromen-7-yl] acetate
CID 7345773
6,7-dihydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one
CID 135471441
2-[1-(7-hydroxy-4-methyl-2-oxochromen-8-yl)ethylideneamino]benzoic acid;zinc
CID 135484814
2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol
CID 5240881
2-[(Z)-N-anilino-C-methylcarbonimidoyl]-4-methylphenol
CID 136704879
4-methyl-8-[C-methyl-N-[8-[1-(4-methyl-7-oxido-2-oxochromen-8-yl)ethylideneamino]naphthalen-1-yl]carbonimidoyl]-2-oxochromen-7-olate;nickel(2+)
CID 86573821
(2Z)-2-amino-2-[(3-methylphenyl)hydrazinylidene]acetic acid
CID 68518581
2-[(E)-N-anilino-C-methylcarbonimidoyl]-4,6-dibromophenol
CID 137308244
(8-acetyl-4-methyl-2-oxochromen-7-yl) 2-(3-methylphenoxy)acetate
CID 19172547
2-[(E)-N-(3-chloroanilino)-C-methylcarbonimidoyl]benzo[f]chromen-3-one
CID 71739722

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-methyl-6,8-bis[(E)-C-methyl-N-(3-methylanilino)carbonimidoyl]chromen-2-one?
The IUPAC name of 7-hydroxy-4-methyl-6,8-bis[(E)-C-methyl-N-(3-methylanilino)carbonimidoyl]chromen-2-one (CID 137243500) is 7-hydroxy-4-methyl-6,8-bis[(E)-C-methyl-N-(3-methylanilino)carbonimidoyl]chromen-2-one.
What is the SMILES notation for 7-hydroxy-4-methyl-6,8-bis[(E)-C-methyl-N-(3-methylanilino)carbonimidoyl]chromen-2-one?
The canonical SMILES for 7-hydroxy-4-methyl-6,8-bis[(E)-C-methyl-N-(3-methylanilino)carbonimidoyl]chromen-2-one is C/C(=N\Nc1cccc(C)c1)c1cc2c(C)cc(=O)oc2c(/C(C)=N/Nc2cccc(C)c2)c1O.
What is the InChIKey of 7-hydroxy-4-methyl-6,8-bis[(E)-C-methyl-N-(3-methylanilino)carbonimidoyl]chromen-2-one?
The InChIKey is ZXXHEEFGIKAYOO-CZYCKNNWSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-16-8-6-10-21(12-16)31-29-19(4)24-15-23-18(3)14-25(33)35-28(23)26(27(24)34)20(5)30-32-22-11-7-9-17(2)13-22/h6-15,31-32,34H,1-5H3/b29-19+,30-20+.
What are the key properties of 7-hydroxy-4-methyl-6,8-bis[(E)-C-methyl-N-(3-methylanilino)carbonimidoyl]chromen-2-one?
7-hydroxy-4-methyl-6,8-bis[(E)-C-methyl-N-(3-methylanilino)carbonimidoyl]chromen-2-one has a molecular weight of 468.56 g/mol, XLogP of 6.10, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-methyl-6,8-bis[(E)-C-methyl-N-(3-methylanilino)carbonimidoyl]chromen-2-one is sourced from PubChem (CID 137243500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).