6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

C22H19N3O2 — CID 5329484

IUPAC6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
SMILESCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
InChIInChI=1S/C22H19N3O2/c1-26-19-11-12-21-20(13-19)22(24-15-23-21)25-17-7-9-18(10-8-17)27-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,23,24,25)
InChIKeyRARTTYYZTRKYDS-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.96
Rot. Bonds6

About 6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine (PubChem CID 5329484) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
PubChem CID5329484
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
SMILESCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
InChIInChI=1S/C22H19N3O2/c1-26-19-11-12-21-20(13-19)22(24-15-23-21)25-17-7-9-18(10-8-17)27-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,23,24,25)
InChIKeyRARTTYYZTRKYDS-UHFFFAOYSA-N
XLogP4.96
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The IUPAC name of 6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine (CID 5329484) is 6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine is COc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1.
What is the InChIKey of 6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The InChIKey is RARTTYYZTRKYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-26-19-11-12-21-20(13-19)22(24-15-23-21)25-17-7-9-18(10-8-17)27-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,23,24,25).
What are the key properties of 6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine has a molecular weight of 357.41 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 5329484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).