4-[(4E)-5,7-dimethyl-4-(quinazolin-4-ylhydrazinylidene)chromen-2-yl]-2-methoxyphenol

C26H22N4O3 — CID 135684360

IUPAC4-[(4E)-5,7-dimethyl-4-(quinazolin-4-ylhydrazinylidene)chromen-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2c/c(=N\Nc3ncnc4ccccc34)c3c(C)cc(C)cc3o2)ccc1O
InChIInChI=1S/C26H22N4O3/c1-15-10-16(2)25-20(29-30-26-18-6-4-5-7-19(18)27-14-28-26)13-22(33-24(25)11-15)17-8-9-21(31)23(12-17)32-3/h4-14,31H,1-3H3,(H,27,28,30)/b29-20+
InChIKeyPHAICVDCSCLTPJ-ZTKZIYFRSA-N
MW438.49 g/mol
LogP5.30
Rot. Bonds4

About 4-[(4E)-5,7-dimethyl-4-(quinazolin-4-ylhydrazinylidene)chromen-2-yl]-2-methoxyphenol

4-[(4E)-5,7-dimethyl-4-(quinazolin-4-ylhydrazinylidene)chromen-2-yl]-2-methoxyphenol (PubChem CID 135684360) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is 4-[(4E)-5,7-dimethyl-4-(quinazolin-4-ylhydrazinylidene)chromen-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(4E)-5,7-dimethyl-4-(quinazolin-4-ylhydrazinylidene)chromen-2-yl]-2-methoxyphenol
PubChem CID135684360
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC Name4-[(4E)-5,7-dimethyl-4-(quinazolin-4-ylhydrazinylidene)chromen-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2c/c(=N\Nc3ncnc4ccccc34)c3c(C)cc(C)cc3o2)ccc1O
InChIInChI=1S/C26H22N4O3/c1-15-10-16(2)25-20(29-30-26-18-6-4-5-7-19(18)27-14-28-26)13-22(33-24(25)11-15)17-8-9-21(31)23(12-17)32-3/h4-14,31H,1-3H3,(H,27,28,30)/b29-20+
InChIKeyPHAICVDCSCLTPJ-ZTKZIYFRSA-N
XLogP5.30
TPSA92.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(4E)-4-(1,3-benzothiazol-2-ylhydrazinylidene)-5,7-dimethylchromen-2-yl]-2-methoxyphenol
CID 135752356
4-[(4E)-5,7-dimethyl-4-(quinolin-1-ium-2-ylhydrazinylidene)chromen-2-yl]-2-methoxyphenol
CID 135615069
(NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine
CID 6871166
4-[(4E)-4-hydroxyimino-6,8-dimethylchromen-2-yl]-2-methoxyphenol
CID 135821399
2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine
CID 7729859
2-[2-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]ethoxy]ethanol
CID 7729855
(E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(1,3-thiazol-2-yl)chromen-4-imine
CID 20998887
2-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-5,7-dimethylchromen-4-imine
CID 7729878
4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]benzenesulfonamide
CID 20998884
methyl 2-[(E)-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 20998888
4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 20998885
4-methyl-2-(quinazolin-4-ylamino)phenol
CID 725411

Frequently Asked Questions

What is the IUPAC name of 4-[(4E)-5,7-dimethyl-4-(quinazolin-4-ylhydrazinylidene)chromen-2-yl]-2-methoxyphenol?
The IUPAC name of 4-[(4E)-5,7-dimethyl-4-(quinazolin-4-ylhydrazinylidene)chromen-2-yl]-2-methoxyphenol (CID 135684360) is 4-[(4E)-5,7-dimethyl-4-(quinazolin-4-ylhydrazinylidene)chromen-2-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[(4E)-5,7-dimethyl-4-(quinazolin-4-ylhydrazinylidene)chromen-2-yl]-2-methoxyphenol?
The canonical SMILES for 4-[(4E)-5,7-dimethyl-4-(quinazolin-4-ylhydrazinylidene)chromen-2-yl]-2-methoxyphenol is COc1cc(-c2c/c(=N\Nc3ncnc4ccccc34)c3c(C)cc(C)cc3o2)ccc1O.
What is the InChIKey of 4-[(4E)-5,7-dimethyl-4-(quinazolin-4-ylhydrazinylidene)chromen-2-yl]-2-methoxyphenol?
The InChIKey is PHAICVDCSCLTPJ-ZTKZIYFRSA-N. The full InChI is InChI=1S/C26H22N4O3/c1-15-10-16(2)25-20(29-30-26-18-6-4-5-7-19(18)27-14-28-26)13-22(33-24(25)11-15)17-8-9-21(31)23(12-17)32-3/h4-14,31H,1-3H3,(H,27,28,30)/b29-20+.
What are the key properties of 4-[(4E)-5,7-dimethyl-4-(quinazolin-4-ylhydrazinylidene)chromen-2-yl]-2-methoxyphenol?
4-[(4E)-5,7-dimethyl-4-(quinazolin-4-ylhydrazinylidene)chromen-2-yl]-2-methoxyphenol has a molecular weight of 438.49 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E)-5,7-dimethyl-4-(quinazolin-4-ylhydrazinylidene)chromen-2-yl]-2-methoxyphenol is sourced from PubChem (CID 135684360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).