(Z)-3-methylimino-2-[4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinazolin-7-yl]prop-1-en-1-amine

C22H20N6 — CID 169231452

IUPAC(Z)-3-methylimino-2-[4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinazolin-7-yl]prop-1-en-1-amine
SMILESC/N=C/C(=C\N)c1ccc2c(-c3c(-c4ccccc4)n[nH]c3C)ncnc2c1
InChIInChI=1S/C22H20N6/c1-14-20(21(28-27-14)15-6-4-3-5-7-15)22-18-9-8-16(17(11-23)12-24-2)10-19(18)25-13-26-22/h3-13H,23H2,1-2H3,(H,27,28)/b17-11+,24-12+
InChIKeyVTLPCHPKXUGUQL-KLLNZUQLSA-N
MW368.44 g/mol
LogP4.00
Rot. Bonds4

About (Z)-3-methylimino-2-[4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinazolin-7-yl]prop-1-en-1-amine

(Z)-3-methylimino-2-[4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinazolin-7-yl]prop-1-en-1-amine (PubChem CID 169231452) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is (Z)-3-methylimino-2-[4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinazolin-7-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-methylimino-2-[4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinazolin-7-yl]prop-1-en-1-amine
PubChem CID169231452
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC Name(Z)-3-methylimino-2-[4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinazolin-7-yl]prop-1-en-1-amine
SMILESC/N=C/C(=C\N)c1ccc2c(-c3c(-c4ccccc4)n[nH]c3C)ncnc2c1
InChIInChI=1S/C22H20N6/c1-14-20(21(28-27-14)15-6-4-3-5-7-15)22-18-9-8-16(17(11-23)12-24-2)10-19(18)25-13-26-22/h3-13H,23H2,1-2H3,(H,27,28)/b17-11+,24-12+
InChIKeyVTLPCHPKXUGUQL-KLLNZUQLSA-N
XLogP4.00
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methylimino-2-[4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinazolin-7-yl]prop-1-en-1-amine?
The IUPAC name of (Z)-3-methylimino-2-[4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinazolin-7-yl]prop-1-en-1-amine (CID 169231452) is (Z)-3-methylimino-2-[4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinazolin-7-yl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-methylimino-2-[4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinazolin-7-yl]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-methylimino-2-[4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinazolin-7-yl]prop-1-en-1-amine is C/N=C/C(=C\N)c1ccc2c(-c3c(-c4ccccc4)n[nH]c3C)ncnc2c1.
What is the InChIKey of (Z)-3-methylimino-2-[4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinazolin-7-yl]prop-1-en-1-amine?
The InChIKey is VTLPCHPKXUGUQL-KLLNZUQLSA-N. The full InChI is InChI=1S/C22H20N6/c1-14-20(21(28-27-14)15-6-4-3-5-7-15)22-18-9-8-16(17(11-23)12-24-2)10-19(18)25-13-26-22/h3-13H,23H2,1-2H3,(H,27,28)/b17-11+,24-12+.
What are the key properties of (Z)-3-methylimino-2-[4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinazolin-7-yl]prop-1-en-1-amine?
(Z)-3-methylimino-2-[4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinazolin-7-yl]prop-1-en-1-amine has a molecular weight of 368.44 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylimino-2-[4-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinazolin-7-yl]prop-1-en-1-amine is sourced from PubChem (CID 169231452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).