N-benzyl-6-(3-methoxyphenyl)quinazolin-4-amine

C22H19N3O — CID 3233879

IUPACN-benzyl-6-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(NCc4ccccc4)c3c2)c1
InChIInChI=1S/C22H19N3O/c1-26-19-9-5-8-17(12-19)18-10-11-21-20(13-18)22(25-15-24-21)23-14-16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,23,24,25)
InChIKeyBGCGOPOCCSBTAD-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.92
Rot. Bonds5

About N-benzyl-6-(3-methoxyphenyl)quinazolin-4-amine

N-benzyl-6-(3-methoxyphenyl)quinazolin-4-amine (PubChem CID 3233879) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is N-benzyl-6-(3-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-(3-methoxyphenyl)quinazolin-4-amine
PubChem CID3233879
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC NameN-benzyl-6-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(NCc4ccccc4)c3c2)c1
InChIInChI=1S/C22H19N3O/c1-26-19-9-5-8-17(12-19)18-10-11-21-20(13-18)22(25-15-24-21)23-14-16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,23,24,25)
InChIKeyBGCGOPOCCSBTAD-UHFFFAOYSA-N
XLogP4.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of N-benzyl-6-(3-methoxyphenyl)quinazolin-4-amine (CID 3233879) is N-benzyl-6-(3-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N-benzyl-6-(3-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for N-benzyl-6-(3-methoxyphenyl)quinazolin-4-amine is COc1cccc(-c2ccc3ncnc(NCc4ccccc4)c3c2)c1.
What is the InChIKey of N-benzyl-6-(3-methoxyphenyl)quinazolin-4-amine?
The InChIKey is BGCGOPOCCSBTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-26-19-9-5-8-17(12-19)18-10-11-21-20(13-18)22(25-15-24-21)23-14-16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,23,24,25).
What are the key properties of N-benzyl-6-(3-methoxyphenyl)quinazolin-4-amine?
N-benzyl-6-(3-methoxyphenyl)quinazolin-4-amine has a molecular weight of 341.41 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 3233879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).