8-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine

C22H26N4O3 — CID 171350571

IUPAC8-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(NCCN3CCOCC3)c3cccc(OC)c3n2)cc1
InChIInChI=1S/C22H26N4O3/c1-27-17-8-6-16(7-9-17)21-24-20-18(4-3-5-19(20)28-2)22(25-21)23-10-11-26-12-14-29-15-13-26/h3-9H,10-15H2,1-2H3,(H,23,24,25)
InChIKeyAFBHUEVSDBLXDF-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.06
Rot. Bonds7

About 8-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine

8-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine (PubChem CID 171350571) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 8-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name8-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
PubChem CID171350571
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name8-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(NCCN3CCOCC3)c3cccc(OC)c3n2)cc1
InChIInChI=1S/C22H26N4O3/c1-27-17-8-6-16(7-9-17)21-24-20-18(4-3-5-19(20)28-2)22(25-21)23-10-11-26-12-14-29-15-13-26/h3-9H,10-15H2,1-2H3,(H,23,24,25)
InChIKeyAFBHUEVSDBLXDF-UHFFFAOYSA-N
XLogP3.06
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine?
The IUPAC name of 8-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine (CID 171350571) is 8-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine.
What is the SMILES notation for 8-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine?
The canonical SMILES for 8-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine is COc1ccc(-c2nc(NCCN3CCOCC3)c3cccc(OC)c3n2)cc1.
What is the InChIKey of 8-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine?
The InChIKey is AFBHUEVSDBLXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-27-17-8-6-16(7-9-17)21-24-20-18(4-3-5-19(20)28-2)22(25-21)23-10-11-26-12-14-29-15-13-26/h3-9H,10-15H2,1-2H3,(H,23,24,25).
What are the key properties of 8-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine?
8-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine has a molecular weight of 394.48 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine is sourced from PubChem (CID 171350571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).