molecular hydrogen;7-morpholin-4-ylquinazolin-5-ol;(4-pyrimidin-2-yloxycyclohexyl) methanesulfonate;4-[5-(4-pyrimidin-2-yloxycyclohexyl)oxyquinazolin-7-yl]morpholine

C45H56N10O9S — CID 162183203

IUPACmolecular hydrogen;7-morpholin-4-ylquinazolin-5-ol;(4-pyrimidin-2-yloxycyclohexyl) methanesulfonate;4-[5-(4-pyrimidin-2-yloxycyclohexyl)oxyquinazolin-7-yl]morpholine
SMILESCS(=O)(=O)OC1CCC(Oc2ncccn2)CC1.Oc1cc(N2CCOCC2)cc2ncncc12.[H][H].c1cnc(OC2CCC(Oc3cc(N4CCOCC4)cc4ncncc34)CC2)nc1
InChIInChI=1S/C22H25N5O3.C12H13N3O2.C11H16N2O4S.H2/c1-6-24-22(25-7-1)30-18-4-2-17(3-5-18)29-21-13-16(27-8-10-28-11-9-27)12-20-19(21)14-23-15-26-20;16-12-6-9(15-1-3-17-4-2-15)5-11-10(12)7-13-8-14-11;1-18(14,15)17-10-5-3-9(4-6-10)16-11-12-7-2-8-13-11;/h1,6-7,12-15,17-18H,2-5,8-11H2;5-8,16H,1-4H2;2,7-10H,3-6H2,1H3;1H
InChIKeyZPHVYSRQCMYIOO-UHFFFAOYSA-N
MW913.07 g/mol
LogP5.59
Rot. Bonds10

About molecular hydrogen;7-morpholin-4-ylquinazolin-5-ol;(4-pyrimidin-2-yloxycyclohexyl) methanesulfonate;4-[5-(4-pyrimidin-2-yloxycyclohexyl)oxyquinazolin-7-yl]morpholine

molecular hydrogen;7-morpholin-4-ylquinazolin-5-ol;(4-pyrimidin-2-yloxycyclohexyl) methanesulfonate;4-[5-(4-pyrimidin-2-yloxycyclohexyl)oxyquinazolin-7-yl]morpholine (PubChem CID 162183203) has the molecular formula C45H56N10O9S and a molecular weight of 913.07 g/mol. Its IUPAC name is molecular hydrogen;7-morpholin-4-ylquinazolin-5-ol;(4-pyrimidin-2-yloxycyclohexyl) methanesulfonate;4-[5-(4-pyrimidin-2-yloxycyclohexyl)oxyquinazolin-7-yl]morpholine.

Molecular Properties

Compound Namemolecular hydrogen;7-morpholin-4-ylquinazolin-5-ol;(4-pyrimidin-2-yloxycyclohexyl) methanesulfonate;4-[5-(4-pyrimidin-2-yloxycyclohexyl)oxyquinazolin-7-yl]morpholine
PubChem CID162183203
Molecular FormulaC45H56N10O9S
Molecular Weight913.07 g/mol
Exact Mass912.40
IUPAC Namemolecular hydrogen;7-morpholin-4-ylquinazolin-5-ol;(4-pyrimidin-2-yloxycyclohexyl) methanesulfonate;4-[5-(4-pyrimidin-2-yloxycyclohexyl)oxyquinazolin-7-yl]morpholine
SMILESCS(=O)(=O)OC1CCC(Oc2ncccn2)CC1.Oc1cc(N2CCOCC2)cc2ncncc12.[H][H].c1cnc(OC2CCC(Oc3cc(N4CCOCC4)cc4ncncc34)CC2)nc1
InChIInChI=1S/C22H25N5O3.C12H13N3O2.C11H16N2O4S.H2/c1-6-24-22(25-7-1)30-18-4-2-17(3-5-18)29-21-13-16(27-8-10-28-11-9-27)12-20-19(21)14-23-15-26-20;16-12-6-9(15-1-3-17-4-2-15)5-11-10(12)7-13-8-14-11;1-18(14,15)17-10-5-3-9(4-6-10)16-11-12-7-2-8-13-11;/h1,6-7,12-15,17-18H,2-5,8-11H2;5-8,16H,1-4H2;2,7-10H,3-6H2,1H3;1H
InChIKeyZPHVYSRQCMYIOO-UHFFFAOYSA-N
XLogP5.59
TPSA219.35 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500913.07
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze molecular hydrogen;7-morpholin-4-ylquinazolin-5-ol;(4-pyrimidin-2-yloxycyclohexyl) methanesulfonate;4-[5-(4-pyrimidin-2-yloxycyclohexyl)oxyquinazolin-7-yl]morpholine with MolForge

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Related Compounds

ethyl N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]carbamate
CID 139338434
4-[5-[4-(2-methylpyrimidin-4-yl)cyclohexyl]oxyquinazolin-7-yl]morpholine
CID 139330388
N-methyl-2-[[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxamide;molecular hydrogen
CID 159374794
[4-[(2-methoxyacetyl)amino]cyclohexyl] methanesulfonate;2-methoxy-N-[4-(4-methoxy-7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]acetamide;4-methoxy-7-(oxan-4-yl)quinazolin-5-ol;molecular hydrogen
CID 158226671
lithium;ethyl 4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexane-1-carboxylate;methanamine;N-methyl-4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexane-1-carboxamide;4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexane-1-carboxylic acid;oxolane;hydroxide
CID 159593215
1-methyl-8-[4-(5-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one
CID 139342834
4-[(2-chlorofuro[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;2-methyl-N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine
CID 139330580
1-methyl-6-morpholin-4-yl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-2-one
CID 139342829
methyl 4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexane-1-carboxylate
CID 86282798
5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine
CID 121335808
N-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]acetamide
CID 121335573
4-(7-morpholin-4-ylquinoxalin-5-yl)oxy-N-phenylcyclohexane-1-carboxamide
CID 90443929

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;7-morpholin-4-ylquinazolin-5-ol;(4-pyrimidin-2-yloxycyclohexyl) methanesulfonate;4-[5-(4-pyrimidin-2-yloxycyclohexyl)oxyquinazolin-7-yl]morpholine?
The IUPAC name of molecular hydrogen;7-morpholin-4-ylquinazolin-5-ol;(4-pyrimidin-2-yloxycyclohexyl) methanesulfonate;4-[5-(4-pyrimidin-2-yloxycyclohexyl)oxyquinazolin-7-yl]morpholine (CID 162183203) is molecular hydrogen;7-morpholin-4-ylquinazolin-5-ol;(4-pyrimidin-2-yloxycyclohexyl) methanesulfonate;4-[5-(4-pyrimidin-2-yloxycyclohexyl)oxyquinazolin-7-yl]morpholine.
What is the SMILES notation for molecular hydrogen;7-morpholin-4-ylquinazolin-5-ol;(4-pyrimidin-2-yloxycyclohexyl) methanesulfonate;4-[5-(4-pyrimidin-2-yloxycyclohexyl)oxyquinazolin-7-yl]morpholine?
The canonical SMILES for molecular hydrogen;7-morpholin-4-ylquinazolin-5-ol;(4-pyrimidin-2-yloxycyclohexyl) methanesulfonate;4-[5-(4-pyrimidin-2-yloxycyclohexyl)oxyquinazolin-7-yl]morpholine is CS(=O)(=O)OC1CCC(Oc2ncccn2)CC1.Oc1cc(N2CCOCC2)cc2ncncc12.[H][H].c1cnc(OC2CCC(Oc3cc(N4CCOCC4)cc4ncncc34)CC2)nc1.
What is the InChIKey of molecular hydrogen;7-morpholin-4-ylquinazolin-5-ol;(4-pyrimidin-2-yloxycyclohexyl) methanesulfonate;4-[5-(4-pyrimidin-2-yloxycyclohexyl)oxyquinazolin-7-yl]morpholine?
The InChIKey is ZPHVYSRQCMYIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3.C12H13N3O2.C11H16N2O4S.H2/c1-6-24-22(25-7-1)30-18-4-2-17(3-5-18)29-21-13-16(27-8-10-28-11-9-27)12-20-19(21)14-23-15-26-20;16-12-6-9(15-1-3-17-4-2-15)5-11-10(12)7-13-8-14-11;1-18(14,15)17-10-5-3-9(4-6-10)16-11-12-7-2-8-13-11;/h1,6-7,12-15,17-18H,2-5,8-11H2;5-8,16H,1-4H2;2,7-10H,3-6H2,1H3;1H.
What are the key properties of molecular hydrogen;7-morpholin-4-ylquinazolin-5-ol;(4-pyrimidin-2-yloxycyclohexyl) methanesulfonate;4-[5-(4-pyrimidin-2-yloxycyclohexyl)oxyquinazolin-7-yl]morpholine?
molecular hydrogen;7-morpholin-4-ylquinazolin-5-ol;(4-pyrimidin-2-yloxycyclohexyl) methanesulfonate;4-[5-(4-pyrimidin-2-yloxycyclohexyl)oxyquinazolin-7-yl]morpholine has a molecular weight of 913.07 g/mol, XLogP of 5.59, 10 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;7-morpholin-4-ylquinazolin-5-ol;(4-pyrimidin-2-yloxycyclohexyl) methanesulfonate;4-[5-(4-pyrimidin-2-yloxycyclohexyl)oxyquinazolin-7-yl]morpholine is sourced from PubChem (CID 162183203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).