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

C22H26N4O3 — CID 171352054

IUPAC6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(NCCN3CCOCC3)c3cc(OC)ccc3n2)cc1
InChIInChI=1S/C22H26N4O3/c1-27-17-5-3-16(4-6-17)21-24-20-8-7-18(28-2)15-19(20)22(25-21)23-9-10-26-11-13-29-14-12-26/h3-8,15H,9-14H2,1-2H3,(H,23,24,25)
InChIKeyBJKKICWBMCUTTG-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.06
Rot. Bonds7

About 6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine

6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine (PubChem CID 171352054) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
PubChem CID171352054
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(NCCN3CCOCC3)c3cc(OC)ccc3n2)cc1
InChIInChI=1S/C22H26N4O3/c1-27-17-5-3-16(4-6-17)21-24-20-8-7-18(28-2)15-19(20)22(25-21)23-9-10-26-11-13-29-14-12-26/h3-8,15H,9-14H2,1-2H3,(H,23,24,25)
InChIKeyBJKKICWBMCUTTG-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 6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine?
The IUPAC name of 6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine (CID 171352054) is 6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine.
What is the SMILES notation for 6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine?
The canonical SMILES for 6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine is COc1ccc(-c2nc(NCCN3CCOCC3)c3cc(OC)ccc3n2)cc1.
What is the InChIKey of 6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine?
The InChIKey is BJKKICWBMCUTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-27-17-5-3-16(4-6-17)21-24-20-8-7-18(28-2)15-19(20)22(25-21)23-9-10-26-11-13-29-14-12-26/h3-8,15H,9-14H2,1-2H3,(H,23,24,25).
What are the key properties of 6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine?
6-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 6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine is sourced from PubChem (CID 171352054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).