(5E)-5-benzylidene-3-[(4-methoxyphenyl)diazenyl]-9-phenyl-7,8-dihydro-6H-pyrazolo[5,1-b]quinazolin-2-amine

C30H26N6O — CID 11005423

IUPAC(5E)-5-benzylidene-3-[(4-methoxyphenyl)diazenyl]-9-phenyl-7,8-dihydro-6H-pyrazolo[5,1-b]quinazolin-2-amine
SMILESCOc1ccc(/N=N/c2c(N)nn3c(-c4ccccc4)c4c(nc23)/C(=C/c2ccccc2)CCC4)cc1
InChIInChI=1S/C30H26N6O/c1-37-24-17-15-23(16-18-24)33-34-27-29(31)35-36-28(21-11-6-3-7-12-21)25-14-8-13-22(26(25)32-30(27)36)19-20-9-4-2-5-10-20/h2-7,9-12,15-19H,8,13-14H2,1H3,(H2,31,35)/b22-19+,34-33+
InChIKeyYLYXWTBPAIJBMW-JFWNINSXSA-N
MW486.58 g/mol
LogP7.28
Rot. Bonds5

About (5E)-5-benzylidene-3-[(4-methoxyphenyl)diazenyl]-9-phenyl-7,8-dihydro-6H-pyrazolo[5,1-b]quinazolin-2-amine

(5E)-5-benzylidene-3-[(4-methoxyphenyl)diazenyl]-9-phenyl-7,8-dihydro-6H-pyrazolo[5,1-b]quinazolin-2-amine (PubChem CID 11005423) has the molecular formula C30H26N6O and a molecular weight of 486.58 g/mol. Its IUPAC name is (5E)-5-benzylidene-3-[(4-methoxyphenyl)diazenyl]-9-phenyl-7,8-dihydro-6H-pyrazolo[5,1-b]quinazolin-2-amine.

Molecular Properties

Compound Name(5E)-5-benzylidene-3-[(4-methoxyphenyl)diazenyl]-9-phenyl-7,8-dihydro-6H-pyrazolo[5,1-b]quinazolin-2-amine
PubChem CID11005423
Molecular FormulaC30H26N6O
Molecular Weight486.58 g/mol
Exact Mass486.22
IUPAC Name(5E)-5-benzylidene-3-[(4-methoxyphenyl)diazenyl]-9-phenyl-7,8-dihydro-6H-pyrazolo[5,1-b]quinazolin-2-amine
SMILESCOc1ccc(/N=N/c2c(N)nn3c(-c4ccccc4)c4c(nc23)/C(=C/c2ccccc2)CCC4)cc1
InChIInChI=1S/C30H26N6O/c1-37-24-17-15-23(16-18-24)33-34-27-29(31)35-36-28(21-11-6-3-7-12-21)25-14-8-13-22(26(25)32-30(27)36)19-20-9-4-2-5-10-20/h2-7,9-12,15-19H,8,13-14H2,1H3,(H2,31,35)/b22-19+,34-33+
InChIKeyYLYXWTBPAIJBMW-JFWNINSXSA-N
XLogP7.28
TPSA90.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-benzylidene-3-[(4-methylphenyl)diazenyl]-9-phenyl-7,8-dihydro-6H-pyrazolo[5,1-b]quinazolin-2-amine
CID 11005184
(5E)-5-benzylidene-3-[(4-nitrophenyl)diazenyl]-9-phenyl-7,8-dihydro-6H-pyrazolo[5,1-b]quinazolin-2-amine
CID 10864034
(8E)-8-benzylidene-4-phenyl-6,7-dihydro-5H-quinazolin-2-amine
CID 13170787
5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine
CID 13492990
6-acetyl-2-amino-7-(4-methoxyphenyl)-3-phenyldiazenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 136736135
(5E)-9-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-7,8-dihydro-6H-[1,2,4]triazolo[5,1-b]quinazoline
CID 6051001
(2E,6Z)-2-[(4-methoxyphenyl)methylidene]-6-[(4-phenylphenyl)methylidene]cyclohexan-1-one
CID 2313566
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (4E)-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 16535429
(8E)-8-benzylidene-4-cyano-2-methoxy-6,7-dihydro-5H-quinoline-3-carboxamide
CID 91742440
7-(6-methoxynaphthalen-2-yl)-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine
CID 155810949
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 4652895
[2-(ethylamino)-2-oxoethyl] (4E)-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 6213329

Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-3-[(4-methoxyphenyl)diazenyl]-9-phenyl-7,8-dihydro-6H-pyrazolo[5,1-b]quinazolin-2-amine?
The IUPAC name of (5E)-5-benzylidene-3-[(4-methoxyphenyl)diazenyl]-9-phenyl-7,8-dihydro-6H-pyrazolo[5,1-b]quinazolin-2-amine (CID 11005423) is (5E)-5-benzylidene-3-[(4-methoxyphenyl)diazenyl]-9-phenyl-7,8-dihydro-6H-pyrazolo[5,1-b]quinazolin-2-amine.
What is the SMILES notation for (5E)-5-benzylidene-3-[(4-methoxyphenyl)diazenyl]-9-phenyl-7,8-dihydro-6H-pyrazolo[5,1-b]quinazolin-2-amine?
The canonical SMILES for (5E)-5-benzylidene-3-[(4-methoxyphenyl)diazenyl]-9-phenyl-7,8-dihydro-6H-pyrazolo[5,1-b]quinazolin-2-amine is COc1ccc(/N=N/c2c(N)nn3c(-c4ccccc4)c4c(nc23)/C(=C/c2ccccc2)CCC4)cc1.
What is the InChIKey of (5E)-5-benzylidene-3-[(4-methoxyphenyl)diazenyl]-9-phenyl-7,8-dihydro-6H-pyrazolo[5,1-b]quinazolin-2-amine?
The InChIKey is YLYXWTBPAIJBMW-JFWNINSXSA-N. The full InChI is InChI=1S/C30H26N6O/c1-37-24-17-15-23(16-18-24)33-34-27-29(31)35-36-28(21-11-6-3-7-12-21)25-14-8-13-22(26(25)32-30(27)36)19-20-9-4-2-5-10-20/h2-7,9-12,15-19H,8,13-14H2,1H3,(H2,31,35)/b22-19+,34-33+.
What are the key properties of (5E)-5-benzylidene-3-[(4-methoxyphenyl)diazenyl]-9-phenyl-7,8-dihydro-6H-pyrazolo[5,1-b]quinazolin-2-amine?
(5E)-5-benzylidene-3-[(4-methoxyphenyl)diazenyl]-9-phenyl-7,8-dihydro-6H-pyrazolo[5,1-b]quinazolin-2-amine has a molecular weight of 486.58 g/mol, XLogP of 7.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-3-[(4-methoxyphenyl)diazenyl]-9-phenyl-7,8-dihydro-6H-pyrazolo[5,1-b]quinazolin-2-amine is sourced from PubChem (CID 11005423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).