N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methoxy-3-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-(4-methylphenyl)acetamide;pentakis(carbon dioxide)

C121H136FN15O27 — CID 158193310

IUPACN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methoxy-3-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-(4-methylphenyl)acetamide;pentakis(carbon dioxide)
SMILESCCCOc1cc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)ccc1OC.COc1cc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)ccc1OCCO.COc1cc(C)cc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)c1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccc(F)c(O)c3)cccc2n1.Cc1ccc(CC(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C25H31N3O4.C24H29N3O5.C23H27N3O3.C23H27N3O2.C21H22FN3O3.5CO2/c1-6-12-31-22-14-17(10-11-20(22)30-5)24(29)28-25(3,4)15-32-21-9-7-8-19-23(21)18(26)13-16(2)27-19;1-15-12-17(25)22-18(26-15)6-5-7-20(22)32-14-24(2,3)27-23(29)16-8-9-19(31-11-10-28)21(13-16)30-4;1-14-9-16(12-17(10-14)28-5)22(27)26-23(3,4)13-29-20-8-6-7-19-21(20)18(24)11-15(2)25-19;1-15-8-10-17(11-9-15)13-21(27)26-23(3,4)14-28-20-7-5-6-19-22(20)18(24)12-16(2)25-19;1-12-9-15(23)19-16(24-12)5-4-6-18(19)28-11-21(2,3)25-20(27)13-7-8-14(22)17(26)10-13;5*2-1-3/h7-11,13-14H,6,12,15H2,1-5H3,(H2,26,27)(H,28,29);5-9,12-13,28H,10-11,14H2,1-4H3,(H2,25,26)(H,27,29);6-12H,13H2,1-5H3,(H2,24,25)(H,26,27);5-12H,13-14H2,1-4H3,(H2,24,25)(H,26,27);4-10,26H,11H2,1-3H3,(H2,23,24)(H,25,27);;;;;
InChIKeyGAALIDCXQHTPQB-UHFFFAOYSA-N
MW2251.49 g/mol
LogP16.22
Rot. Bonds35

About N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methoxy-3-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-(4-methylphenyl)acetamide;pentakis(carbon dioxide)

N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methoxy-3-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-(4-methylphenyl)acetamide;pentakis(carbon dioxide) (PubChem CID 158193310) has the molecular formula C121H136FN15O27 and a molecular weight of 2251.49 g/mol. Its IUPAC name is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methoxy-3-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-(4-methylphenyl)acetamide;pentakis(carbon dioxide).

Molecular Properties

Compound NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methoxy-3-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-(4-methylphenyl)acetamide;pentakis(carbon dioxide)
PubChem CID158193310
Molecular FormulaC121H136FN15O27
Molecular Weight2251.49 g/mol
Exact Mass2249.97
IUPAC NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methoxy-3-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-(4-methylphenyl)acetamide;pentakis(carbon dioxide)
SMILESCCCOc1cc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)ccc1OC.COc1cc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)ccc1OCCO.COc1cc(C)cc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)c1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccc(F)c(O)c3)cccc2n1.Cc1ccc(CC(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C25H31N3O4.C24H29N3O5.C23H27N3O3.C23H27N3O2.C21H22FN3O3.5CO2/c1-6-12-31-22-14-17(10-11-20(22)30-5)24(29)28-25(3,4)15-32-21-9-7-8-19-23(21)18(26)13-16(2)27-19;1-15-12-17(25)22-18(26-15)6-5-7-20(22)32-14-24(2,3)27-23(29)16-8-9-19(31-11-10-28)21(13-16)30-4;1-14-9-16(12-17(10-14)28-5)22(27)26-23(3,4)13-29-20-8-6-7-19-21(20)18(24)11-15(2)25-19;1-15-8-10-17(11-9-15)13-21(27)26-23(3,4)14-28-20-7-5-6-19-22(20)18(24)12-16(2)25-19;1-12-9-15(23)19-16(24-12)5-4-6-18(19)28-11-21(2,3)25-20(27)13-7-8-14(22)17(26)10-13;5*2-1-3/h7-11,13-14H,6,12,15H2,1-5H3,(H2,26,27)(H,28,29);5-9,12-13,28H,10-11,14H2,1-4H3,(H2,25,26)(H,27,29);6-12H,13H2,1-5H3,(H2,24,25)(H,26,27);5-12H,13-14H2,1-4H3,(H2,24,25)(H,26,27);4-10,26H,11H2,1-3H3,(H2,23,24)(H,25,27);;;;;
InChIKeyGAALIDCXQHTPQB-UHFFFAOYSA-N
XLogP16.22
TPSA643.51 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds35
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002251.49
LogP ≤ 516.22
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Analyze N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methoxy-3-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-(4-methylphenyl)acetamide;pentakis(carbon dioxide) with MolForge

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Related Compounds

N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 58460319
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(3-hydroxypropoxy)-4-methoxybenzamide;carbon dioxide
CID 159342253
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3,5-dimethoxybenzamide
CID 58460338
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-4-methylbenzamide;carbon dioxide
CID 123992201
N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 58460441
4-(4-amino-2-methylquinolin-5-yl)oxy-3,3-dimethyl-1-(4-methylphenyl)butan-2-one;carbon dioxide
CID 123203295
N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]-3-butoxy-4-methoxybenzamide;carbon dioxide
CID 123835407
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]butanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-fluorobenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-hydroxy-4-methylbenzamide;bis(N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide);heptakis(carbon dioxide)
CID 162204687
N-[1-(4-amino-2-methylquinolin-5-yl)oxybutan-2-yl]-4-butoxy-3-methoxybenzamide;carbon dioxide
CID 123502778
N-[1-(4-amino-2-methyl-3-propan-2-ylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-(2-hydroxyethoxy)-5-methoxybenzamide
CID 163609241
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-ethylbutanamide
CID 58460379
4-amino-5-[4-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]-4-methylpentyl]-2-methylquinoline-3-carboxylic acid
CID 139421954

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methoxy-3-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-(4-methylphenyl)acetamide;pentakis(carbon dioxide)?
The IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methoxy-3-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-(4-methylphenyl)acetamide;pentakis(carbon dioxide) (CID 158193310) is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methoxy-3-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-(4-methylphenyl)acetamide;pentakis(carbon dioxide).
What is the SMILES notation for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methoxy-3-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-(4-methylphenyl)acetamide;pentakis(carbon dioxide)?
The canonical SMILES for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methoxy-3-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-(4-methylphenyl)acetamide;pentakis(carbon dioxide) is CCCOc1cc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)ccc1OC.COc1cc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)ccc1OCCO.COc1cc(C)cc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)c1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccc(F)c(O)c3)cccc2n1.Cc1ccc(CC(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methoxy-3-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-(4-methylphenyl)acetamide;pentakis(carbon dioxide)?
The InChIKey is GAALIDCXQHTPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4.C24H29N3O5.C23H27N3O3.C23H27N3O2.C21H22FN3O3.5CO2/c1-6-12-31-22-14-17(10-11-20(22)30-5)24(29)28-25(3,4)15-32-21-9-7-8-19-23(21)18(26)13-16(2)27-19;1-15-12-17(25)22-18(26-15)6-5-7-20(22)32-14-24(2,3)27-23(29)16-8-9-19(31-11-10-28)21(13-16)30-4;1-14-9-16(12-17(10-14)28-5)22(27)26-23(3,4)13-29-20-8-6-7-19-21(20)18(24)11-15(2)25-19;1-15-8-10-17(11-9-15)13-21(27)26-23(3,4)14-28-20-7-5-6-19-22(20)18(24)12-16(2)25-19;1-12-9-15(23)19-16(24-12)5-4-6-18(19)28-11-21(2,3)25-20(27)13-7-8-14(22)17(26)10-13;5*2-1-3/h7-11,13-14H,6,12,15H2,1-5H3,(H2,26,27)(H,28,29);5-9,12-13,28H,10-11,14H2,1-4H3,(H2,25,26)(H,27,29);6-12H,13H2,1-5H3,(H2,24,25)(H,26,27);5-12H,13-14H2,1-4H3,(H2,24,25)(H,26,27);4-10,26H,11H2,1-3H3,(H2,23,24)(H,25,27);;;;;.
What are the key properties of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methoxy-3-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-(4-methylphenyl)acetamide;pentakis(carbon dioxide)?
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methoxy-3-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-(4-methylphenyl)acetamide;pentakis(carbon dioxide) has a molecular weight of 2251.49 g/mol, XLogP of 16.22, 35 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-fluoro-3-hydroxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methoxy-5-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-4-methoxy-3-propoxybenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-(4-methylphenyl)acetamide;pentakis(carbon dioxide) is sourced from PubChem (CID 158193310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).