7-[1-amino-3-[2-(dimethylamino)ethylimino]prop-1-en-2-yl]-N-(2-phenyl-4-pyridinyl)quinazolin-4-amine

C26H27N7 — CID 178018487

IUPAC7-[1-amino-3-[2-(dimethylamino)ethylimino]prop-1-en-2-yl]-N-(2-phenyl-4-pyridinyl)quinazolin-4-amine
SMILESCN(C)CC/N=C/C(=CN)c1ccc2c(Nc3ccnc(-c4ccccc4)c3)ncnc2c1
InChIInChI=1S/C26H27N7/c1-33(2)13-12-28-17-21(16-27)20-8-9-23-25(14-20)30-18-31-26(23)32-22-10-11-29-24(15-22)19-6-4-3-5-7-19/h3-11,14-18H,12-13,27H2,1-2H3,(H,29,30,31,32)/b21-16?,28-17+
InChIKeyKERMGQAFZSFJFF-VEQFFQBFSA-N
MW437.55 g/mol
LogP4.37
Rot. Bonds8

About 7-[1-amino-3-[2-(dimethylamino)ethylimino]prop-1-en-2-yl]-N-(2-phenyl-4-pyridinyl)quinazolin-4-amine

7-[1-amino-3-[2-(dimethylamino)ethylimino]prop-1-en-2-yl]-N-(2-phenyl-4-pyridinyl)quinazolin-4-amine (PubChem CID 178018487) has the molecular formula C26H27N7 and a molecular weight of 437.55 g/mol. Its IUPAC name is 7-[1-amino-3-[2-(dimethylamino)ethylimino]prop-1-en-2-yl]-N-(2-phenyl-4-pyridinyl)quinazolin-4-amine.

Molecular Properties

Compound Name7-[1-amino-3-[2-(dimethylamino)ethylimino]prop-1-en-2-yl]-N-(2-phenyl-4-pyridinyl)quinazolin-4-amine
PubChem CID178018487
Molecular FormulaC26H27N7
Molecular Weight437.55 g/mol
Exact Mass437.23
IUPAC Name7-[1-amino-3-[2-(dimethylamino)ethylimino]prop-1-en-2-yl]-N-(2-phenyl-4-pyridinyl)quinazolin-4-amine
SMILESCN(C)CC/N=C/C(=CN)c1ccc2c(Nc3ccnc(-c4ccccc4)c3)ncnc2c1
InChIInChI=1S/C26H27N7/c1-33(2)13-12-28-17-21(16-27)20-8-9-23-25(14-20)30-18-31-26(23)32-22-10-11-29-24(15-22)19-6-4-3-5-7-19/h3-11,14-18H,12-13,27H2,1-2H3,(H,29,30,31,32)/b21-16?,28-17+
InChIKeyKERMGQAFZSFJFF-VEQFFQBFSA-N
XLogP4.37
TPSA92.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-[(Z)-3-imino-1-[methyl(2-morpholin-4-ylethyl)amino]prop-1-en-2-yl]-N-[2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]quinazolin-4-amine
CID 178018503
N-[7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-5-[2-(dimethylamino)ethoxy]quinazolin-4-yl]-2,3-dihydro-1,3-benzothiazol-6-amine
CID 171088853
(Z)-3-methylimino-2-[4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinazolin-7-yl]prop-1-en-1-amine
CID 169231452
7-[4-(dimethylamino)butoxy]-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 54254112
1-N-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 130463674
4-(3-methylanilino)quinazoline-7-carboxylic acid
CID 1414137
2-(3-methylbut-2-enoxy)-4-(quinazolin-4-ylamino)benzonitrile
CID 59474950
(Z)-9-(dimethylamino)-1-[4-(3-iodoanilino)quinazolin-6-yl]non-3-ene-2,5-dione
CID 162127082
(E)-N-(4-anilinoquinazolin-6-yl)-4-(dimethylamino)but-2-enamide
CID 69317465
4-(2-methoxyanilino)quinazoline-7-carboxylic acid
CID 1414161
N-(3-bromophenyl)-7-[4-(dimethylamino)butoxy]quinazolin-4-amine
CID 140994402
4-(3-hydroxyanilino)quinazoline-7-carboxylic acid;hydrochloride
CID 20982572

Frequently Asked Questions

What is the IUPAC name of 7-[1-amino-3-[2-(dimethylamino)ethylimino]prop-1-en-2-yl]-N-(2-phenyl-4-pyridinyl)quinazolin-4-amine?
The IUPAC name of 7-[1-amino-3-[2-(dimethylamino)ethylimino]prop-1-en-2-yl]-N-(2-phenyl-4-pyridinyl)quinazolin-4-amine (CID 178018487) is 7-[1-amino-3-[2-(dimethylamino)ethylimino]prop-1-en-2-yl]-N-(2-phenyl-4-pyridinyl)quinazolin-4-amine.
What is the SMILES notation for 7-[1-amino-3-[2-(dimethylamino)ethylimino]prop-1-en-2-yl]-N-(2-phenyl-4-pyridinyl)quinazolin-4-amine?
The canonical SMILES for 7-[1-amino-3-[2-(dimethylamino)ethylimino]prop-1-en-2-yl]-N-(2-phenyl-4-pyridinyl)quinazolin-4-amine is CN(C)CC/N=C/C(=CN)c1ccc2c(Nc3ccnc(-c4ccccc4)c3)ncnc2c1.
What is the InChIKey of 7-[1-amino-3-[2-(dimethylamino)ethylimino]prop-1-en-2-yl]-N-(2-phenyl-4-pyridinyl)quinazolin-4-amine?
The InChIKey is KERMGQAFZSFJFF-VEQFFQBFSA-N. The full InChI is InChI=1S/C26H27N7/c1-33(2)13-12-28-17-21(16-27)20-8-9-23-25(14-20)30-18-31-26(23)32-22-10-11-29-24(15-22)19-6-4-3-5-7-19/h3-11,14-18H,12-13,27H2,1-2H3,(H,29,30,31,32)/b21-16?,28-17+.
What are the key properties of 7-[1-amino-3-[2-(dimethylamino)ethylimino]prop-1-en-2-yl]-N-(2-phenyl-4-pyridinyl)quinazolin-4-amine?
7-[1-amino-3-[2-(dimethylamino)ethylimino]prop-1-en-2-yl]-N-(2-phenyl-4-pyridinyl)quinazolin-4-amine has a molecular weight of 437.55 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-amino-3-[2-(dimethylamino)ethylimino]prop-1-en-2-yl]-N-(2-phenyl-4-pyridinyl)quinazolin-4-amine is sourced from PubChem (CID 178018487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).