N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine

C22H28N6O3 — CID 169158095

IUPACN-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine
SMILESCNC1CCC(Oc2cccc3cnc(Nc4cnc(N5CCOCC5)o4)nc23)CC1
InChIInChI=1S/C22H28N6O3/c1-23-16-5-7-17(8-6-16)30-18-4-2-3-15-13-24-21(27-20(15)18)26-19-14-25-22(31-19)28-9-11-29-12-10-28/h2-4,13-14,16-17,23H,5-12H2,1H3,(H,24,26,27)
InChIKeyLRXIHZOBYONLOF-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.11
Rot. Bonds6

About N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine

N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine (PubChem CID 169158095) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine
PubChem CID169158095
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC NameN-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine
SMILESCNC1CCC(Oc2cccc3cnc(Nc4cnc(N5CCOCC5)o4)nc23)CC1
InChIInChI=1S/C22H28N6O3/c1-23-16-5-7-17(8-6-16)30-18-4-2-3-15-13-24-21(27-20(15)18)26-19-14-25-22(31-19)28-9-11-29-12-10-28/h2-4,13-14,16-17,23H,5-12H2,1H3,(H,24,26,27)
InChIKeyLRXIHZOBYONLOF-UHFFFAOYSA-N
XLogP3.11
TPSA97.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine with MolForge

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Related Compounds

N-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine
CID 169158023
N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101585
6-[[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 169158099
N-(3-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101733
N-[4-[[8-(oxan-4-yloxy)quinazolin-2-yl]amino]cyclohexyl]methanesulfonamide
CID 58082692
2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine
CID 169158054
morpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone
CID 67102421
ethane;2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine
CID 169158053
N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide
CID 169158157
N-(4-fluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101978
N-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine
CID 169158038
4-[2-[[2-[ethyl-[2-[ethyl(methyl)amino]ethyl]amino]-1,3-oxazol-5-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158244

Frequently Asked Questions

What is the IUPAC name of N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine?
The IUPAC name of N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine (CID 169158095) is N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine.
What is the SMILES notation for N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine?
The canonical SMILES for N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine is CNC1CCC(Oc2cccc3cnc(Nc4cnc(N5CCOCC5)o4)nc23)CC1.
What is the InChIKey of N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine?
The InChIKey is LRXIHZOBYONLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-23-16-5-7-17(8-6-16)30-18-4-2-3-15-13-24-21(27-20(15)18)26-19-14-25-22(31-19)28-9-11-29-12-10-28/h2-4,13-14,16-17,23H,5-12H2,1H3,(H,24,26,27).
What are the key properties of N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine?
N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine has a molecular weight of 424.51 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine is sourced from PubChem (CID 169158095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).