5-(1-adamantyloxy)-2-methylquinazolin-4-amine;5-(4-aminophenoxy)-2-methylquinazolin-4-amine;5-cyclohexyloxy-2-methylquinazolin-4-amine;5-ethoxy-2-methylquinazolin-4-amine;2-methyl-5-(2,2,2-trifluoroethoxy)quinazolin-4-amine

C71H79F3N16O5 — CID 159893403

IUPAC5-(1-adamantyloxy)-2-methylquinazolin-4-amine;5-(4-aminophenoxy)-2-methylquinazolin-4-amine;5-cyclohexyloxy-2-methylquinazolin-4-amine;5-ethoxy-2-methylquinazolin-4-amine;2-methyl-5-(2,2,2-trifluoroethoxy)quinazolin-4-amine
SMILESCCOc1cccc2nc(C)nc(N)c12.Cc1nc(N)c2c(OC34CC5CC(CC(C5)C3)C4)cccc2n1.Cc1nc(N)c2c(OC3CCCCC3)cccc2n1.Cc1nc(N)c2c(OCC(F)(F)F)cccc2n1.Cc1nc(N)c2c(Oc3ccc(N)cc3)cccc2n1
InChIInChI=1S/C19H23N3O.C15H14N4O.C15H19N3O.C11H10F3N3O.C11H13N3O/c1-11-21-15-3-2-4-16(17(15)18(20)22-11)23-19-8-12-5-13(9-19)7-14(6-12)10-19;1-9-18-12-3-2-4-13(14(12)15(17)19-9)20-11-7-5-10(16)6-8-11;1-10-17-12-8-5-9-13(14(12)15(16)18-10)19-11-6-3-2-4-7-11;1-6-16-7-3-2-4-8(9(7)10(15)17-6)18-5-11(12,13)14;1-3-15-9-6-4-5-8-10(9)11(12)14-7(2)13-8/h2-4,12-14H,5-10H2,1H3,(H2,20,21,22);2-8H,16H2,1H3,(H2,17,18,19);5,8-9,11H,2-4,6-7H2,1H3,(H2,16,17,18);2-4H,5H2,1H3,(H2,15,16,17);4-6H,3H2,1-2H3,(H2,12,13,14)
InChIKeyNVAUNZBRKUSYLQ-UHFFFAOYSA-N
MW1293.51 g/mol
LogP14.38
Rot. Bonds10

About 5-(1-adamantyloxy)-2-methylquinazolin-4-amine;5-(4-aminophenoxy)-2-methylquinazolin-4-amine;5-cyclohexyloxy-2-methylquinazolin-4-amine;5-ethoxy-2-methylquinazolin-4-amine;2-methyl-5-(2,2,2-trifluoroethoxy)quinazolin-4-amine

5-(1-adamantyloxy)-2-methylquinazolin-4-amine;5-(4-aminophenoxy)-2-methylquinazolin-4-amine;5-cyclohexyloxy-2-methylquinazolin-4-amine;5-ethoxy-2-methylquinazolin-4-amine;2-methyl-5-(2,2,2-trifluoroethoxy)quinazolin-4-amine (PubChem CID 159893403) has the molecular formula C71H79F3N16O5 and a molecular weight of 1293.51 g/mol. Its IUPAC name is 5-(1-adamantyloxy)-2-methylquinazolin-4-amine;5-(4-aminophenoxy)-2-methylquinazolin-4-amine;5-cyclohexyloxy-2-methylquinazolin-4-amine;5-ethoxy-2-methylquinazolin-4-amine;2-methyl-5-(2,2,2-trifluoroethoxy)quinazolin-4-amine.

Molecular Properties

Compound Name5-(1-adamantyloxy)-2-methylquinazolin-4-amine;5-(4-aminophenoxy)-2-methylquinazolin-4-amine;5-cyclohexyloxy-2-methylquinazolin-4-amine;5-ethoxy-2-methylquinazolin-4-amine;2-methyl-5-(2,2,2-trifluoroethoxy)quinazolin-4-amine
PubChem CID159893403
Molecular FormulaC71H79F3N16O5
Molecular Weight1293.51 g/mol
Exact Mass1292.64
IUPAC Name5-(1-adamantyloxy)-2-methylquinazolin-4-amine;5-(4-aminophenoxy)-2-methylquinazolin-4-amine;5-cyclohexyloxy-2-methylquinazolin-4-amine;5-ethoxy-2-methylquinazolin-4-amine;2-methyl-5-(2,2,2-trifluoroethoxy)quinazolin-4-amine
SMILESCCOc1cccc2nc(C)nc(N)c12.Cc1nc(N)c2c(OC34CC5CC(CC(C5)C3)C4)cccc2n1.Cc1nc(N)c2c(OC3CCCCC3)cccc2n1.Cc1nc(N)c2c(OCC(F)(F)F)cccc2n1.Cc1nc(N)c2c(Oc3ccc(N)cc3)cccc2n1
InChIInChI=1S/C19H23N3O.C15H14N4O.C15H19N3O.C11H10F3N3O.C11H13N3O/c1-11-21-15-3-2-4-16(17(15)18(20)22-11)23-19-8-12-5-13(9-19)7-14(6-12)10-19;1-9-18-12-3-2-4-13(14(12)15(17)19-9)20-11-7-5-10(16)6-8-11;1-10-17-12-8-5-9-13(14(12)15(16)18-10)19-11-6-3-2-4-7-11;1-6-16-7-3-2-4-8(9(7)10(15)17-6)18-5-11(12,13)14;1-3-15-9-6-4-5-8-10(9)11(12)14-7(2)13-8/h2-4,12-14H,5-10H2,1H3,(H2,20,21,22);2-8H,16H2,1H3,(H2,17,18,19);5,8-9,11H,2-4,6-7H2,1H3,(H2,16,17,18);2-4H,5H2,1H3,(H2,15,16,17);4-6H,3H2,1-2H3,(H2,12,13,14)
InChIKeyNVAUNZBRKUSYLQ-UHFFFAOYSA-N
XLogP14.38
TPSA331.17 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds10
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001293.51
LogP ≤ 514.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-(1-adamantyloxy)-2-methylquinazolin-4-amine;5-(4-aminophenoxy)-2-methylquinazolin-4-amine;5-cyclohexyloxy-2-methylquinazolin-4-amine;5-ethoxy-2-methylquinazolin-4-amine;2-methyl-5-(2,2,2-trifluoroethoxy)quinazolin-4-amine with MolForge

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Related Compounds

5-[1-[3-(Trifluoromethyl)phenyl]ethoxy]quinazoline-2,4-diamine
CID 11544782
5-[1-[4-(Trifluoromethyl)phenyl]ethoxy]quinazoline-2,4-diamine
CID 11559319
5-[[1-[[2-(Trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 67301757
5-[4-(2-Fluorobenzyl)cyclohexylmethoxy]quinazoline-2,4-diamine
CID 25003479
5-[[1-[[3-(Trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 67301738
5-[[1-[[3-(Trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 67302163
5-[1-(2,6-Dimethylpiperidin-4-yl)-2-(2-fluorophenyl)ethoxy]quinazoline-2,4-diamine
CID 67302304
5-[Piperidin-4-yl-[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine
CID 68872341
5-[(2-Fluorophenyl)-piperidin-4-ylmethoxy]quinazoline-2,4-diamine
CID 68874573
5-[2-(2,3-Difluorophenyl)-1-piperidin-4-ylethoxy]quinazoline-2,4-diamine
CID 68875884
4-(4-(2,6-Difluorobenzyloxy)-3-fluoroanilino)-5-(1-methylpiperidin-4-yloxy)quinazoline
CID 68882758
4-(3-Fluoro-4-(2-fluorobenzyloxy)anilino)-5-(1-methylpiperidin-4-yloxy)quinazoline
CID 68882806

Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantyloxy)-2-methylquinazolin-4-amine;5-(4-aminophenoxy)-2-methylquinazolin-4-amine;5-cyclohexyloxy-2-methylquinazolin-4-amine;5-ethoxy-2-methylquinazolin-4-amine;2-methyl-5-(2,2,2-trifluoroethoxy)quinazolin-4-amine?
The IUPAC name of 5-(1-adamantyloxy)-2-methylquinazolin-4-amine;5-(4-aminophenoxy)-2-methylquinazolin-4-amine;5-cyclohexyloxy-2-methylquinazolin-4-amine;5-ethoxy-2-methylquinazolin-4-amine;2-methyl-5-(2,2,2-trifluoroethoxy)quinazolin-4-amine (CID 159893403) is 5-(1-adamantyloxy)-2-methylquinazolin-4-amine;5-(4-aminophenoxy)-2-methylquinazolin-4-amine;5-cyclohexyloxy-2-methylquinazolin-4-amine;5-ethoxy-2-methylquinazolin-4-amine;2-methyl-5-(2,2,2-trifluoroethoxy)quinazolin-4-amine.
What is the SMILES notation for 5-(1-adamantyloxy)-2-methylquinazolin-4-amine;5-(4-aminophenoxy)-2-methylquinazolin-4-amine;5-cyclohexyloxy-2-methylquinazolin-4-amine;5-ethoxy-2-methylquinazolin-4-amine;2-methyl-5-(2,2,2-trifluoroethoxy)quinazolin-4-amine?
The canonical SMILES for 5-(1-adamantyloxy)-2-methylquinazolin-4-amine;5-(4-aminophenoxy)-2-methylquinazolin-4-amine;5-cyclohexyloxy-2-methylquinazolin-4-amine;5-ethoxy-2-methylquinazolin-4-amine;2-methyl-5-(2,2,2-trifluoroethoxy)quinazolin-4-amine is CCOc1cccc2nc(C)nc(N)c12.Cc1nc(N)c2c(OC34CC5CC(CC(C5)C3)C4)cccc2n1.Cc1nc(N)c2c(OC3CCCCC3)cccc2n1.Cc1nc(N)c2c(OCC(F)(F)F)cccc2n1.Cc1nc(N)c2c(Oc3ccc(N)cc3)cccc2n1.
What is the InChIKey of 5-(1-adamantyloxy)-2-methylquinazolin-4-amine;5-(4-aminophenoxy)-2-methylquinazolin-4-amine;5-cyclohexyloxy-2-methylquinazolin-4-amine;5-ethoxy-2-methylquinazolin-4-amine;2-methyl-5-(2,2,2-trifluoroethoxy)quinazolin-4-amine?
The InChIKey is NVAUNZBRKUSYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.C15H14N4O.C15H19N3O.C11H10F3N3O.C11H13N3O/c1-11-21-15-3-2-4-16(17(15)18(20)22-11)23-19-8-12-5-13(9-19)7-14(6-12)10-19;1-9-18-12-3-2-4-13(14(12)15(17)19-9)20-11-7-5-10(16)6-8-11;1-10-17-12-8-5-9-13(14(12)15(16)18-10)19-11-6-3-2-4-7-11;1-6-16-7-3-2-4-8(9(7)10(15)17-6)18-5-11(12,13)14;1-3-15-9-6-4-5-8-10(9)11(12)14-7(2)13-8/h2-4,12-14H,5-10H2,1H3,(H2,20,21,22);2-8H,16H2,1H3,(H2,17,18,19);5,8-9,11H,2-4,6-7H2,1H3,(H2,16,17,18);2-4H,5H2,1H3,(H2,15,16,17);4-6H,3H2,1-2H3,(H2,12,13,14).
What are the key properties of 5-(1-adamantyloxy)-2-methylquinazolin-4-amine;5-(4-aminophenoxy)-2-methylquinazolin-4-amine;5-cyclohexyloxy-2-methylquinazolin-4-amine;5-ethoxy-2-methylquinazolin-4-amine;2-methyl-5-(2,2,2-trifluoroethoxy)quinazolin-4-amine?
5-(1-adamantyloxy)-2-methylquinazolin-4-amine;5-(4-aminophenoxy)-2-methylquinazolin-4-amine;5-cyclohexyloxy-2-methylquinazolin-4-amine;5-ethoxy-2-methylquinazolin-4-amine;2-methyl-5-(2,2,2-trifluoroethoxy)quinazolin-4-amine has a molecular weight of 1293.51 g/mol, XLogP of 14.38, 10 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyloxy)-2-methylquinazolin-4-amine;5-(4-aminophenoxy)-2-methylquinazolin-4-amine;5-cyclohexyloxy-2-methylquinazolin-4-amine;5-ethoxy-2-methylquinazolin-4-amine;2-methyl-5-(2,2,2-trifluoroethoxy)quinazolin-4-amine is sourced from PubChem (CID 159893403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).