N-[1-(2-methylphenyl)ethenyl]-2-phenyl-1,2-dihydroquinazolin-4-amine;pentane

C28H33N3 — CID 142125552

IUPACN-[1-(2-methylphenyl)ethenyl]-2-phenyl-1,2-dihydroquinazolin-4-amine;pentane
SMILESC=C(NC1=NC(c2ccccc2)Nc2ccccc21)c1ccccc1C.CCCCC
InChIInChI=1S/C23H21N3.C5H12/c1-16-10-6-7-13-19(16)17(2)24-23-20-14-8-9-15-21(20)25-22(26-23)18-11-4-3-5-12-18;1-3-5-4-2/h3-15,22,25H,2H2,1H3,(H,24,26);3-5H2,1-2H3
InChIKeyGZFYYVJGBICUNT-UHFFFAOYSA-N
MW411.59 g/mol
LogP7.32
Rot. Bonds5

About N-[1-(2-methylphenyl)ethenyl]-2-phenyl-1,2-dihydroquinazolin-4-amine;pentane

N-[1-(2-methylphenyl)ethenyl]-2-phenyl-1,2-dihydroquinazolin-4-amine;pentane (PubChem CID 142125552) has the molecular formula C28H33N3 and a molecular weight of 411.59 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethenyl]-2-phenyl-1,2-dihydroquinazolin-4-amine;pentane.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethenyl]-2-phenyl-1,2-dihydroquinazolin-4-amine;pentane
PubChem CID142125552
Molecular FormulaC28H33N3
Molecular Weight411.59 g/mol
Exact Mass411.27
IUPAC NameN-[1-(2-methylphenyl)ethenyl]-2-phenyl-1,2-dihydroquinazolin-4-amine;pentane
SMILESC=C(NC1=NC(c2ccccc2)Nc2ccccc21)c1ccccc1C.CCCCC
InChIInChI=1S/C23H21N3.C5H12/c1-16-10-6-7-13-19(16)17(2)24-23-20-14-8-9-15-21(20)25-22(26-23)18-11-4-3-5-12-18;1-3-5-4-2/h3-15,22,25H,2H2,1H3,(H,24,26);3-5H2,1-2H3
InChIKeyGZFYYVJGBICUNT-UHFFFAOYSA-N
XLogP7.32
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.59
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethenyl]-2-phenyl-1,2-dihydroquinazolin-4-amine;pentane?
The IUPAC name of N-[1-(2-methylphenyl)ethenyl]-2-phenyl-1,2-dihydroquinazolin-4-amine;pentane (CID 142125552) is N-[1-(2-methylphenyl)ethenyl]-2-phenyl-1,2-dihydroquinazolin-4-amine;pentane.
What is the SMILES notation for N-[1-(2-methylphenyl)ethenyl]-2-phenyl-1,2-dihydroquinazolin-4-amine;pentane?
The canonical SMILES for N-[1-(2-methylphenyl)ethenyl]-2-phenyl-1,2-dihydroquinazolin-4-amine;pentane is C=C(NC1=NC(c2ccccc2)Nc2ccccc21)c1ccccc1C.CCCCC.
What is the InChIKey of N-[1-(2-methylphenyl)ethenyl]-2-phenyl-1,2-dihydroquinazolin-4-amine;pentane?
The InChIKey is GZFYYVJGBICUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3.C5H12/c1-16-10-6-7-13-19(16)17(2)24-23-20-14-8-9-15-21(20)25-22(26-23)18-11-4-3-5-12-18;1-3-5-4-2/h3-15,22,25H,2H2,1H3,(H,24,26);3-5H2,1-2H3.
What are the key properties of N-[1-(2-methylphenyl)ethenyl]-2-phenyl-1,2-dihydroquinazolin-4-amine;pentane?
N-[1-(2-methylphenyl)ethenyl]-2-phenyl-1,2-dihydroquinazolin-4-amine;pentane has a molecular weight of 411.59 g/mol, XLogP of 7.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)ethenyl]-2-phenyl-1,2-dihydroquinazolin-4-amine;pentane is sourced from PubChem (CID 142125552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).