N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-8-phenylquinazolin-4-amine

C26H25N5O — CID 170724764

IUPACN-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-8-phenylquinazolin-4-amine
SMILESCc1cccc(C=NNc2nc(N3CCOCC3)nc3c(-c4ccccc4)cccc23)c1
InChIInChI=1S/C26H25N5O/c1-19-7-5-8-20(17-19)18-27-30-25-23-12-6-11-22(21-9-3-2-4-10-21)24(23)28-26(29-25)31-13-15-32-16-14-31/h2-12,17-18H,13-16H2,1H3,(H,28,29,30)
InChIKeyGBHYXTJPKNBBKP-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.89
Rot. Bonds5

About N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-8-phenylquinazolin-4-amine

N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-8-phenylquinazolin-4-amine (PubChem CID 170724764) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-8-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-8-phenylquinazolin-4-amine
PubChem CID170724764
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC NameN-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-8-phenylquinazolin-4-amine
SMILESCc1cccc(C=NNc2nc(N3CCOCC3)nc3c(-c4ccccc4)cccc23)c1
InChIInChI=1S/C26H25N5O/c1-19-7-5-8-20(17-19)18-27-30-25-23-12-6-11-22(21-9-3-2-4-10-21)24(23)28-26(29-25)31-13-15-32-16-14-31/h2-12,17-18H,13-16H2,1H3,(H,28,29,30)
InChIKeyGBHYXTJPKNBBKP-UHFFFAOYSA-N
XLogP4.89
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-8-phenylquinazolin-4-amine?
The IUPAC name of N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-8-phenylquinazolin-4-amine (CID 170724764) is N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-8-phenylquinazolin-4-amine.
What is the SMILES notation for N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-8-phenylquinazolin-4-amine?
The canonical SMILES for N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-8-phenylquinazolin-4-amine is Cc1cccc(C=NNc2nc(N3CCOCC3)nc3c(-c4ccccc4)cccc23)c1.
What is the InChIKey of N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-8-phenylquinazolin-4-amine?
The InChIKey is GBHYXTJPKNBBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c1-19-7-5-8-20(17-19)18-27-30-25-23-12-6-11-22(21-9-3-2-4-10-21)24(23)28-26(29-25)31-13-15-32-16-14-31/h2-12,17-18H,13-16H2,1H3,(H,28,29,30).
What are the key properties of N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-8-phenylquinazolin-4-amine?
N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-8-phenylquinazolin-4-amine has a molecular weight of 423.52 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-8-phenylquinazolin-4-amine is sourced from PubChem (CID 170724764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).