bis(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]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]oxolane-3-carboxamide;pentakis(carbon dioxide)

C105H125N15O23 — CID 157198449

IUPACbis(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]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]oxolane-3-carboxamide;pentakis(carbon dioxide)
SMILESCCCC(=O)NC(C)(C)COc1cccc2nc(C)cc(N)c12.CCCC(=O)NC(C)(C)COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(OCC(C)(C)NC(=O)C3CCOC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccc4c(c3)OCCO4)cccc2n1.Cc1cccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C23H25N3O4.C22H25N3O2.C19H25N3O3.2C18H25N3O2.5CO2/c1-14-11-16(24)21-17(25-14)5-4-6-19(21)30-13-23(2,3)26-22(27)15-7-8-18-20(12-15)29-10-9-28-18;1-14-7-5-8-16(11-14)21(26)25-22(3,4)13-27-19-10-6-9-18-20(19)17(23)12-15(2)24-18;1-12-9-14(20)17-15(21-12)5-4-6-16(17)25-11-19(2,3)22-18(23)13-7-8-24-10-13;2*1-5-7-16(22)21-18(3,4)11-23-15-9-6-8-14-17(15)13(19)10-12(2)20-14;5*2-1-3/h4-8,11-12H,9-10,13H2,1-3H3,(H2,24,25)(H,26,27);5-12H,13H2,1-4H3,(H2,23,24)(H,25,26);4-6,9,13H,7-8,10-11H2,1-3H3,(H2,20,21)(H,22,23);2*6,8-10H,5,7,11H2,1-4H3,(H2,19,20)(H,21,22);;;;;
InChIKeyAQNDQNOMLYXFEO-UHFFFAOYSA-N
MW1965.24 g/mol
LogP13.42
Rot. Bonds27

About bis(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]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]oxolane-3-carboxamide;pentakis(carbon dioxide)

bis(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]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]oxolane-3-carboxamide;pentakis(carbon dioxide) (PubChem CID 157198449) has the molecular formula C105H125N15O23 and a molecular weight of 1965.24 g/mol. Its IUPAC name is bis(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]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]oxolane-3-carboxamide;pentakis(carbon dioxide).

Molecular Properties

Compound Namebis(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]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]oxolane-3-carboxamide;pentakis(carbon dioxide)
PubChem CID157198449
Molecular FormulaC105H125N15O23
Molecular Weight1965.24 g/mol
Exact Mass1963.91
IUPAC Namebis(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]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]oxolane-3-carboxamide;pentakis(carbon dioxide)
SMILESCCCC(=O)NC(C)(C)COc1cccc2nc(C)cc(N)c12.CCCC(=O)NC(C)(C)COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(OCC(C)(C)NC(=O)C3CCOC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccc4c(c3)OCCO4)cccc2n1.Cc1cccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C23H25N3O4.C22H25N3O2.C19H25N3O3.2C18H25N3O2.5CO2/c1-14-11-16(24)21-17(25-14)5-4-6-19(21)30-13-23(2,3)26-22(27)15-7-8-18-20(12-15)29-10-9-28-18;1-14-7-5-8-16(11-14)21(26)25-22(3,4)13-27-19-10-6-9-18-20(19)17(23)12-15(2)24-18;1-12-9-14(20)17-15(21-12)5-4-6-16(17)25-11-19(2,3)22-18(23)13-7-8-24-10-13;2*1-5-7-16(22)21-18(3,4)11-23-15-9-6-8-14-17(15)13(19)10-12(2)20-14;5*2-1-3/h4-8,11-12H,9-10,13H2,1-3H3,(H2,24,25)(H,26,27);5-12H,13H2,1-4H3,(H2,23,24)(H,25,26);4-6,9,13H,7-8,10-11H2,1-3H3,(H2,20,21)(H,22,23);2*6,8-10H,5,7,11H2,1-4H3,(H2,19,20)(H,21,22);;;;;
InChIKeyAQNDQNOMLYXFEO-UHFFFAOYSA-N
XLogP13.42
TPSA584.59 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds27
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001965.24
LogP ≤ 513.42
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Analyze bis(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]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]oxolane-3-carboxamide;pentakis(carbon dioxide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(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]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]oxolane-3-carboxamide;pentakis(carbon dioxide)?
The IUPAC name of bis(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]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]oxolane-3-carboxamide;pentakis(carbon dioxide) (CID 157198449) is bis(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]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]oxolane-3-carboxamide;pentakis(carbon dioxide).
What is the SMILES notation for bis(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]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]oxolane-3-carboxamide;pentakis(carbon dioxide)?
The canonical SMILES for bis(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]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]oxolane-3-carboxamide;pentakis(carbon dioxide) is CCCC(=O)NC(C)(C)COc1cccc2nc(C)cc(N)c12.CCCC(=O)NC(C)(C)COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(OCC(C)(C)NC(=O)C3CCOC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccc4c(c3)OCCO4)cccc2n1.Cc1cccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of bis(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]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]oxolane-3-carboxamide;pentakis(carbon dioxide)?
The InChIKey is AQNDQNOMLYXFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4.C22H25N3O2.C19H25N3O3.2C18H25N3O2.5CO2/c1-14-11-16(24)21-17(25-14)5-4-6-19(21)30-13-23(2,3)26-22(27)15-7-8-18-20(12-15)29-10-9-28-18;1-14-7-5-8-16(11-14)21(26)25-22(3,4)13-27-19-10-6-9-18-20(19)17(23)12-15(2)24-18;1-12-9-14(20)17-15(21-12)5-4-6-16(17)25-11-19(2,3)22-18(23)13-7-8-24-10-13;2*1-5-7-16(22)21-18(3,4)11-23-15-9-6-8-14-17(15)13(19)10-12(2)20-14;5*2-1-3/h4-8,11-12H,9-10,13H2,1-3H3,(H2,24,25)(H,26,27);5-12H,13H2,1-4H3,(H2,23,24)(H,25,26);4-6,9,13H,7-8,10-11H2,1-3H3,(H2,20,21)(H,22,23);2*6,8-10H,5,7,11H2,1-4H3,(H2,19,20)(H,21,22);;;;;.
What are the key properties of bis(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]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]oxolane-3-carboxamide;pentakis(carbon dioxide)?
bis(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]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]oxolane-3-carboxamide;pentakis(carbon dioxide) has a molecular weight of 1965.24 g/mol, XLogP of 13.42, 27 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for bis(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]-3-methylbenzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]oxolane-3-carboxamide;pentakis(carbon dioxide) is sourced from PubChem (CID 157198449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).