N-[2-methyl-5-(2-phenylquinazolin-4-yl)phenyl]methanimine;prop-1-ene

C25H23N3 — CID 142607195

IUPACN-[2-methyl-5-(2-phenylquinazolin-4-yl)phenyl]methanimine;prop-1-ene
SMILESC=CC.C=Nc1cc(-c2nc(-c3ccccc3)nc3ccccc23)ccc1C
InChIInChI=1S/C22H17N3.C3H6/c1-15-12-13-17(14-20(15)23-2)21-18-10-6-7-11-19(18)24-22(25-21)16-8-4-3-5-9-16;1-3-2/h3-14H,2H2,1H3;3H,1H2,2H3
InChIKeyPEFXWYCPUXLFNT-UHFFFAOYSA-N
MW365.48 g/mol
LogP6.80
Rot. Bonds3

About N-[2-methyl-5-(2-phenylquinazolin-4-yl)phenyl]methanimine;prop-1-ene

N-[2-methyl-5-(2-phenylquinazolin-4-yl)phenyl]methanimine;prop-1-ene (PubChem CID 142607195) has the molecular formula C25H23N3 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[2-methyl-5-(2-phenylquinazolin-4-yl)phenyl]methanimine;prop-1-ene.

Molecular Properties

Compound NameN-[2-methyl-5-(2-phenylquinazolin-4-yl)phenyl]methanimine;prop-1-ene
PubChem CID142607195
Molecular FormulaC25H23N3
Molecular Weight365.48 g/mol
Exact Mass365.19
IUPAC NameN-[2-methyl-5-(2-phenylquinazolin-4-yl)phenyl]methanimine;prop-1-ene
SMILESC=CC.C=Nc1cc(-c2nc(-c3ccccc3)nc3ccccc23)ccc1C
InChIInChI=1S/C22H17N3.C3H6/c1-15-12-13-17(14-20(15)23-2)21-18-10-6-7-11-19(18)24-22(25-21)16-8-4-3-5-9-16;1-3-2/h3-14H,2H2,1H3;3H,1H2,2H3
InChIKeyPEFXWYCPUXLFNT-UHFFFAOYSA-N
XLogP6.80
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(2-phenylquinazolin-4-yl)phenyl]methanimine;prop-1-ene?
The IUPAC name of N-[2-methyl-5-(2-phenylquinazolin-4-yl)phenyl]methanimine;prop-1-ene (CID 142607195) is N-[2-methyl-5-(2-phenylquinazolin-4-yl)phenyl]methanimine;prop-1-ene.
What is the SMILES notation for N-[2-methyl-5-(2-phenylquinazolin-4-yl)phenyl]methanimine;prop-1-ene?
The canonical SMILES for N-[2-methyl-5-(2-phenylquinazolin-4-yl)phenyl]methanimine;prop-1-ene is C=CC.C=Nc1cc(-c2nc(-c3ccccc3)nc3ccccc23)ccc1C.
What is the InChIKey of N-[2-methyl-5-(2-phenylquinazolin-4-yl)phenyl]methanimine;prop-1-ene?
The InChIKey is PEFXWYCPUXLFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3.C3H6/c1-15-12-13-17(14-20(15)23-2)21-18-10-6-7-11-19(18)24-22(25-21)16-8-4-3-5-9-16;1-3-2/h3-14H,2H2,1H3;3H,1H2,2H3.
What are the key properties of N-[2-methyl-5-(2-phenylquinazolin-4-yl)phenyl]methanimine;prop-1-ene?
N-[2-methyl-5-(2-phenylquinazolin-4-yl)phenyl]methanimine;prop-1-ene has a molecular weight of 365.48 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(2-phenylquinazolin-4-yl)phenyl]methanimine;prop-1-ene is sourced from PubChem (CID 142607195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).