bis(5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine);5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-amine

C78H70Cl2F3N19O6 — CID 160984236

IUPACbis(5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine);5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-amine
SMILESCN(C)c1cccc(Oc2cccc3nc(N)nc(N)c23)c1.COc1ccc(Oc2cccc3ncnc(N)c23)cc1.Cc1nc(N)c2c(OCc3ccc(C(F)(F)F)cc3)cccc2n1.Nc1nc(N)c2c(OCc3ccc(Cl)cc3)cccc2n1.Nc1nc(N)c2c(OCc3ccc(Cl)cc3)cccc2n1
InChIInChI=1S/C17H14F3N3O.C16H17N5O.2C15H13ClN4O.C15H13N3O2/c1-10-22-13-3-2-4-14(15(13)16(21)23-10)24-9-11-5-7-12(8-6-11)17(18,19)20;1-21(2)10-5-3-6-11(9-10)22-13-8-4-7-12-14(13)15(17)20-16(18)19-12;2*16-10-6-4-9(5-7-10)8-21-12-3-1-2-11-13(12)14(17)20-15(18)19-11;1-19-10-5-7-11(8-6-10)20-13-4-2-3-12-14(13)15(16)18-9-17-12/h2-8H,9H2,1H3,(H2,21,22,23);3-9H,1-2H3,(H4,17,18,19,20);2*1-7H,8H2,(H4,17,18,19,20);2-9H,1H3,(H2,16,17,18)
InChIKeySZXIGXKEQVRFKX-UHFFFAOYSA-N
MW1497.44 g/mol
LogP15.84
Rot. Bonds15

About bis(5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine);5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-amine

bis(5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine);5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-amine (PubChem CID 160984236) has the molecular formula C78H70Cl2F3N19O6 and a molecular weight of 1497.44 g/mol. Its IUPAC name is bis(5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine);5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-amine.

Molecular Properties

Compound Namebis(5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine);5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-amine
PubChem CID160984236
Molecular FormulaC78H70Cl2F3N19O6
Molecular Weight1497.44 g/mol
Exact Mass1495.51
IUPAC Namebis(5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine);5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-amine
SMILESCN(C)c1cccc(Oc2cccc3nc(N)nc(N)c23)c1.COc1ccc(Oc2cccc3ncnc(N)c23)cc1.Cc1nc(N)c2c(OCc3ccc(C(F)(F)F)cc3)cccc2n1.Nc1nc(N)c2c(OCc3ccc(Cl)cc3)cccc2n1.Nc1nc(N)c2c(OCc3ccc(Cl)cc3)cccc2n1
InChIInChI=1S/C17H14F3N3O.C16H17N5O.2C15H13ClN4O.C15H13N3O2/c1-10-22-13-3-2-4-14(15(13)16(21)23-10)24-9-11-5-7-12(8-6-11)17(18,19)20;1-21(2)10-5-3-6-11(9-10)22-13-8-4-7-12-14(13)15(17)20-16(18)19-12;2*16-10-6-4-9(5-7-10)8-21-12-3-1-2-11-13(12)14(17)20-15(18)19-11;1-19-10-5-7-11(8-6-10)20-13-4-2-3-12-14(13)15(16)18-9-17-12/h2-8H,9H2,1H3,(H2,21,22,23);3-9H,1-2H3,(H4,17,18,19,20);2*1-7H,8H2,(H4,17,18,19,20);2-9H,1H3,(H2,16,17,18)
InChIKeySZXIGXKEQVRFKX-UHFFFAOYSA-N
XLogP15.84
TPSA395.68 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001497.44
LogP ≤ 515.84
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze bis(5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine);5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-amine with MolForge

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Related Compounds

4-chloro-6,7-dimethoxyquinazoline;6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride
CID 88388198
1,5-Bis[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-5-yl]oxypiperidin-1-yl]pentan-3-one
CID 91183226
4-[2-(1-chloro-6-methylisoquinolin-5-yl)oxypyridin-3-yl]-N-methylpyrimidin-2-amine;6-methyl-5-[3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl]oxy-N-[3-(trifluoromethoxy)phenyl]isoquinolin-1-amine
CID 157059233
Tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline
CID 158231344
5-[(4-Chlorophenyl)methoxy]quinazoline-2,4-diamine;5-(4-fluorophenoxy)quinazoline-2,4-diamine;5-(4-methylphenoxy)quinazoline-2,4-diamine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-phenoxyquinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine
CID 158862461
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
2-chloro-7-[4-chloro-2-(trifluoromethyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine;7-[4-chloro-2-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;3-methoxy-4-(2-methyl-4-pyridinyl)aniline
CID 159932530
5-[(4-Chlorophenyl)methoxy]quinazoline-2,4-diamine;5-(4-fluorophenoxy)quinazoline-2,4-diamine;5-(4-methylphenoxy)quinazoline-2,4-diamine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-phenoxyquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine
CID 160172417
5-[(4-Chlorophenyl)methoxy]quinazoline-2,4-diamine;5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-fluorophenoxy)quinazolin-4-amine;5-(4-methoxyphenoxy)quinazolin-4-amine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-amine
CID 160468803
5-[(4-Chlorophenyl)methoxy]quinazoline-2,4-diamine;5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine
CID 161105464
7-chloro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-fluoro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methoxy-4-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine
CID 161604209
6-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-(1-pyridin-4-ylpiperidin-4-yl)oxyquinazoline;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 161879221

Frequently Asked Questions

What is the IUPAC name of bis(5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine);5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-amine?
The IUPAC name of bis(5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine);5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-amine (CID 160984236) is bis(5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine);5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-amine.
What is the SMILES notation for bis(5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine);5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-amine?
The canonical SMILES for bis(5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine);5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-amine is CN(C)c1cccc(Oc2cccc3nc(N)nc(N)c23)c1.COc1ccc(Oc2cccc3ncnc(N)c23)cc1.Cc1nc(N)c2c(OCc3ccc(C(F)(F)F)cc3)cccc2n1.Nc1nc(N)c2c(OCc3ccc(Cl)cc3)cccc2n1.Nc1nc(N)c2c(OCc3ccc(Cl)cc3)cccc2n1.
What is the InChIKey of bis(5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine);5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-amine?
The InChIKey is SZXIGXKEQVRFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O.C16H17N5O.2C15H13ClN4O.C15H13N3O2/c1-10-22-13-3-2-4-14(15(13)16(21)23-10)24-9-11-5-7-12(8-6-11)17(18,19)20;1-21(2)10-5-3-6-11(9-10)22-13-8-4-7-12-14(13)15(17)20-16(18)19-12;2*16-10-6-4-9(5-7-10)8-21-12-3-1-2-11-13(12)14(17)20-15(18)19-11;1-19-10-5-7-11(8-6-10)20-13-4-2-3-12-14(13)15(16)18-9-17-12/h2-8H,9H2,1H3,(H2,21,22,23);3-9H,1-2H3,(H4,17,18,19,20);2*1-7H,8H2,(H4,17,18,19,20);2-9H,1H3,(H2,16,17,18).
What are the key properties of bis(5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine);5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-amine?
bis(5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine);5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-amine has a molecular weight of 1497.44 g/mol, XLogP of 15.84, 15 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-[(4-chlorophenyl)methoxy]quinazoline-2,4-diamine);5-[3-(dimethylamino)phenoxy]quinazoline-2,4-diamine;5-(4-methoxyphenoxy)quinazolin-4-amine;2-methyl-5-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-amine is sourced from PubChem (CID 160984236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).