N-[2-(4-phenylphenoxy)propyl]quinazolin-4-amine

C23H21N3O — CID 20545319

IUPACN-[2-(4-phenylphenoxy)propyl]quinazolin-4-amine
SMILESCC(CNc1ncnc2ccccc12)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21N3O/c1-17(15-24-23-21-9-5-6-10-22(21)25-16-26-23)27-20-13-11-19(12-14-20)18-7-3-2-4-8-18/h2-14,16-17H,15H2,1H3,(H,24,25,26)
InChIKeyIMHQFBXTTUGFHL-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.18
Rot. Bonds6

About N-[2-(4-phenylphenoxy)propyl]quinazolin-4-amine

N-[2-(4-phenylphenoxy)propyl]quinazolin-4-amine (PubChem CID 20545319) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-(4-phenylphenoxy)propyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(4-phenylphenoxy)propyl]quinazolin-4-amine
PubChem CID20545319
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameN-[2-(4-phenylphenoxy)propyl]quinazolin-4-amine
SMILESCC(CNc1ncnc2ccccc12)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21N3O/c1-17(15-24-23-21-9-5-6-10-22(21)25-16-26-23)27-20-13-11-19(12-14-20)18-7-3-2-4-8-18/h2-14,16-17H,15H2,1H3,(H,24,25,26)
InChIKeyIMHQFBXTTUGFHL-UHFFFAOYSA-N
XLogP5.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylphenoxy)propyl]quinazolin-4-amine?
The IUPAC name of N-[2-(4-phenylphenoxy)propyl]quinazolin-4-amine (CID 20545319) is N-[2-(4-phenylphenoxy)propyl]quinazolin-4-amine.
What is the SMILES notation for N-[2-(4-phenylphenoxy)propyl]quinazolin-4-amine?
The canonical SMILES for N-[2-(4-phenylphenoxy)propyl]quinazolin-4-amine is CC(CNc1ncnc2ccccc12)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-phenylphenoxy)propyl]quinazolin-4-amine?
The InChIKey is IMHQFBXTTUGFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-17(15-24-23-21-9-5-6-10-22(21)25-16-26-23)27-20-13-11-19(12-14-20)18-7-3-2-4-8-18/h2-14,16-17H,15H2,1H3,(H,24,25,26).
What are the key properties of N-[2-(4-phenylphenoxy)propyl]quinazolin-4-amine?
N-[2-(4-phenylphenoxy)propyl]quinazolin-4-amine has a molecular weight of 355.44 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylphenoxy)propyl]quinazolin-4-amine is sourced from PubChem (CID 20545319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).