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

C65H90LiN11O13 — CID 159593215

IUPAClithium;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
SMILESC1CCOC1.CCOC(=O)C1CCC(Oc2cc(N3CCOCC3)cc3ncncc23)CC1.CN.CNC(=O)C1CCC(Oc2cc(N3CCOCC3)cc3ncncc23)CC1.O=C(O)C1CCC(Oc2cc(N3CCOCC3)cc3ncncc23)CC1.[Li+].[OH-]
InChIInChI=1S/C21H27N3O4.C20H26N4O3.C19H23N3O4.C4H8O.CH5N.Li.H2O/c1-2-27-21(25)15-3-5-17(6-4-15)28-20-12-16(24-7-9-26-10-8-24)11-19-18(20)13-22-14-23-19;1-21-20(25)14-2-4-16(5-3-14)27-19-11-15(24-6-8-26-9-7-24)10-18-17(19)12-22-13-23-18;23-19(24)13-1-3-15(4-2-13)26-18-10-14(22-5-7-25-8-6-22)9-17-16(18)11-20-12-21-17;1-2-4-5-3-1;1-2;;/h11-15,17H,2-10H2,1H3;10-14,16H,2-9H2,1H3,(H,21,25);9-13,15H,1-8H2,(H,23,24);1-4H2;2H2,1H3;;1H2/q;;;;;+1;/p-1
InChIKeyMKMSDOVPUUFCKG-UHFFFAOYSA-M
MW1240.44 g/mol
LogP4.80
Rot. Bonds13

About 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

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 (PubChem CID 159593215) has the molecular formula C65H90LiN11O13 and a molecular weight of 1240.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namelithium;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
PubChem CID159593215
Molecular FormulaC65H90LiN11O13
Molecular Weight1240.44 g/mol
Exact Mass1239.69
IUPAC Namelithium;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
SMILESC1CCOC1.CCOC(=O)C1CCC(Oc2cc(N3CCOCC3)cc3ncncc23)CC1.CN.CNC(=O)C1CCC(Oc2cc(N3CCOCC3)cc3ncncc23)CC1.O=C(O)C1CCC(Oc2cc(N3CCOCC3)cc3ncncc23)CC1.[Li+].[OH-]
InChIInChI=1S/C21H27N3O4.C20H26N4O3.C19H23N3O4.C4H8O.CH5N.Li.H2O/c1-2-27-21(25)15-3-5-17(6-4-15)28-20-12-16(24-7-9-26-10-8-24)11-19-18(20)13-22-14-23-19;1-21-20(25)14-2-4-16(5-3-14)27-19-11-15(24-6-8-26-9-7-24)10-18-17(19)12-22-13-23-18;23-19(24)13-1-3-15(4-2-13)26-18-10-14(22-5-7-25-8-6-22)9-17-16(18)11-20-12-21-17;1-2-4-5-3-1;1-2;;/h11-15,17H,2-10H2,1H3;10-14,16H,2-9H2,1H3,(H,21,25);9-13,15H,1-8H2,(H,23,24);1-4H2;2H2,1H3;;1H2/q;;;;;+1;/p-1
InChIKeyMKMSDOVPUUFCKG-UHFFFAOYSA-M
XLogP4.80
TPSA300.39 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001240.44
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

ethyl N-[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]carbamate
CID 139338434
N-methyl-2-[[4-(7-morpholin-4-ylquinazolin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxamide;molecular hydrogen
CID 159374794
4-[5-[4-(2-methylpyrimidin-4-yl)cyclohexyl]oxyquinazolin-7-yl]morpholine
CID 139330388
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
methyl 4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexane-1-carboxylate
CID 86282798
1-morpholin-4-yl-3-[5-(oxan-4-yloxy)quinazolin-7-yl]oxypropan-2-ol
CID 91578906
4-(7-morpholin-4-ylquinoxalin-5-yl)oxy-N-phenylcyclohexane-1-carboxamide
CID 90443929
1-methyl-8-[4-(5-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one
CID 139342834
N-methyl-2-[[4-(4-methyl-7-morpholin-4-yl-3-oxoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide
CID 139342811
N-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]acetamide
CID 121335573
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1CCOC1.CCOC(=O)C1CCC(Oc2cc(N3CCOCC3)cc3ncncc23)CC1.CN.CNC(=O)C1CCC(Oc2cc(N3CCOCC3)cc3ncncc23)CC1.O=C(O)C1CCC(Oc2cc(N3CCOCC3)cc3ncncc23)CC1.[Li+].[OH-].
What is the InChIKey of 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?
The InChIKey is MKMSDOVPUUFCKG-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H27N3O4.C20H26N4O3.C19H23N3O4.C4H8O.CH5N.Li.H2O/c1-2-27-21(25)15-3-5-17(6-4-15)28-20-12-16(24-7-9-26-10-8-24)11-19-18(20)13-22-14-23-19;1-21-20(25)14-2-4-16(5-3-14)27-19-11-15(24-6-8-26-9-7-24)10-18-17(19)12-22-13-23-18;23-19(24)13-1-3-15(4-2-13)26-18-10-14(22-5-7-25-8-6-22)9-17-16(18)11-20-12-21-17;1-2-4-5-3-1;1-2;;/h11-15,17H,2-10H2,1H3;10-14,16H,2-9H2,1H3,(H,21,25);9-13,15H,1-8H2,(H,23,24);1-4H2;2H2,1H3;;1H2/q;;;;;+1;/p-1.
What are the key properties of 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?
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 has a molecular weight of 1240.44 g/mol, XLogP of 4.80, 13 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159593215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).