6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine

C22H19N3O3 — CID 1474853

IUPAC6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C22H19N3O3/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,23,24,25)
InChIKeyDMWVGXGXHPOEPT-UHFFFAOYSA-N
MW373.41 g/mol
LogP5.18
Rot. Bonds6

About 6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine

6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine (PubChem CID 1474853) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine
PubChem CID1474853
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C22H19N3O3/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,23,24,25)
InChIKeyDMWVGXGXHPOEPT-UHFFFAOYSA-N
XLogP5.18
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.41
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine (CID 1474853) is 6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine is COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine?
The InChIKey is DMWVGXGXHPOEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,23,24,25).
What are the key properties of 6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine?
6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine has a molecular weight of 373.41 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 1474853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).