5-(2,3-dihydrofuran-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

C22H28N4O2 — CID 140800580

IUPAC5-(2,3-dihydrofuran-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESC1=C(c2cccc3ncnc(NC4CCC(N5CCOCC5)CC4)c23)OCC1
InChIInChI=1S/C22H28N4O2/c1-3-18(20-5-2-12-28-20)21-19(4-1)23-15-24-22(21)25-16-6-8-17(9-7-16)26-10-13-27-14-11-26/h1,3-5,15-17H,2,6-14H2,(H,23,24,25)
InChIKeyZKAQJGJEDIMBTF-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.45
Rot. Bonds4

About 5-(2,3-dihydrofuran-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

5-(2,3-dihydrofuran-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (PubChem CID 140800580) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 5-(2,3-dihydrofuran-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.

Molecular Properties

Compound Name5-(2,3-dihydrofuran-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
PubChem CID140800580
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name5-(2,3-dihydrofuran-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESC1=C(c2cccc3ncnc(NC4CCC(N5CCOCC5)CC4)c23)OCC1
InChIInChI=1S/C22H28N4O2/c1-3-18(20-5-2-12-28-20)21-19(4-1)23-15-24-22(21)25-16-6-8-17(9-7-16)26-10-13-27-14-11-26/h1,3-5,15-17H,2,6-14H2,(H,23,24,25)
InChIKeyZKAQJGJEDIMBTF-UHFFFAOYSA-N
XLogP3.45
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydrofuran-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The IUPAC name of 5-(2,3-dihydrofuran-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (CID 140800580) is 5-(2,3-dihydrofuran-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.
What is the SMILES notation for 5-(2,3-dihydrofuran-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The canonical SMILES for 5-(2,3-dihydrofuran-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is C1=C(c2cccc3ncnc(NC4CCC(N5CCOCC5)CC4)c23)OCC1.
What is the InChIKey of 5-(2,3-dihydrofuran-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The InChIKey is ZKAQJGJEDIMBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-3-18(20-5-2-12-28-20)21-19(4-1)23-15-24-22(21)25-16-6-8-17(9-7-16)26-10-13-27-14-11-26/h1,3-5,15-17H,2,6-14H2,(H,23,24,25).
What are the key properties of 5-(2,3-dihydrofuran-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
5-(2,3-dihydrofuran-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine has a molecular weight of 380.49 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydrofuran-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is sourced from PubChem (CID 140800580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).