4-amino-6-butylquinoline-3-carboxylic acid;(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethyl-2-methylquinoline-3-carboxylic acid;decakis(carbon dioxide);5-(cyclohexylmethoxy)-2-methylquinolin-4-amine;5-cyclopropyl-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;2-ethylquinolin-4-amine;3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-methylquinolin-4-amine;2-phenylquinolin-4-amine;6-propoxyquinolin-4-amine

C158H164N22O29 — CID 160905821

IUPAC4-amino-6-butylquinoline-3-carboxylic acid;(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethyl-2-methylquinoline-3-carboxylic acid;decakis(carbon dioxide);5-(cyclohexylmethoxy)-2-methylquinolin-4-amine;5-cyclopropyl-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;2-ethylquinolin-4-amine;3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-methylquinolin-4-amine;2-phenylquinolin-4-amine;6-propoxyquinolin-4-amine
SMILESCCCCc1ccc2ncc(C(=O)O)c(N)c2c1.CCCOc1ccc2nccc(N)c2c1.CCc1cc(N)c2ccccc2n1.CCc1ccc2nc(C)c(C(=O)O)c(N)c2c1.Cc1cc(N)c2c(C)cccc2n1.Cc1cc(N)c2c(C3CC3)cccc2n1.Cc1cc(N)c2c(OCC3CCCCC3)cccc2n1.Cc1cc(N)c2c3c(ccc2n1)C1CCCCC1O3.Cc1ccc2nccc(N)c2c1.Nc1cc(-c2ccccc2)nc2ccccc12.Nc1cc(CO)nc2cccc(OC3CCCCC3)c12.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C17H22N2O.C16H20N2O2.C16H18N2O.C15H12N2.C14H16N2O2.C13H14N2O2.C13H14N2.C12H14N2O.2C11H12N2.C10H10N2.10CO2/c1-12-10-14(18)17-15(19-12)8-5-9-16(17)20-11-13-6-3-2-4-7-13;17-13-9-11(10-19)18-14-7-4-8-15(16(13)14)20-12-5-2-1-3-6-12;1-9-8-12(17)15-13(18-9)7-6-11-10-4-2-3-5-14(10)19-16(11)15;16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;1-2-3-4-9-5-6-12-10(7-9)13(15)11(8-16-12)14(17)18;1-3-8-4-5-10-9(6-8)12(14)11(13(16)17)7(2)15-10;1-8-7-11(14)13-10(9-5-6-9)3-2-4-12(13)15-8;1-2-7-15-9-3-4-12-10(8-9)11(13)5-6-14-12;1-7-4-3-5-10-11(7)9(12)6-8(2)13-10;1-2-8-7-10(12)9-5-3-4-6-11(9)13-8;1-7-2-3-10-8(6-7)9(11)4-5-12-10;10*2-1-3/h5,8-10,13H,2-4,6-7,11H2,1H3,(H2,18,19);4,7-9,12,19H,1-3,5-6,10H2,(H2,17,18);6-8,10,14H,2-5H2,1H3,(H2,17,18);1-10H,(H2,16,17);5-8H,2-4H2,1H3,(H2,15,16)(H,17,18);4-6H,3H2,1-2H3,(H2,14,15)(H,16,17);2-4,7,9H,5-6H2,1H3,(H2,14,15);3-6,8H,2,7H2,1H3,(H2,13,14);3-6H,1-2H3,(H2,12,13);3-7H,2H2,1H3,(H2,12,13);2-6H,1H3,(H2,11,12);;;;;;;;;;
InChIKeySQCWYOYNTHDOTM-UHFFFAOYSA-N
MW2835.17 g/mol
LogP26.09
Rot. Bonds18

About 4-amino-6-butylquinoline-3-carboxylic acid;(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethyl-2-methylquinoline-3-carboxylic acid;decakis(carbon dioxide);5-(cyclohexylmethoxy)-2-methylquinolin-4-amine;5-cyclopropyl-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;2-ethylquinolin-4-amine;3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-methylquinolin-4-amine;2-phenylquinolin-4-amine;6-propoxyquinolin-4-amine

4-amino-6-butylquinoline-3-carboxylic acid;(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethyl-2-methylquinoline-3-carboxylic acid;decakis(carbon dioxide);5-(cyclohexylmethoxy)-2-methylquinolin-4-amine;5-cyclopropyl-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;2-ethylquinolin-4-amine;3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-methylquinolin-4-amine;2-phenylquinolin-4-amine;6-propoxyquinolin-4-amine (PubChem CID 160905821) has the molecular formula C158H164N22O29 and a molecular weight of 2835.17 g/mol. Its IUPAC name is 4-amino-6-butylquinoline-3-carboxylic acid;(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethyl-2-methylquinoline-3-carboxylic acid;decakis(carbon dioxide);5-(cyclohexylmethoxy)-2-methylquinolin-4-amine;5-cyclopropyl-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;2-ethylquinolin-4-amine;3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-methylquinolin-4-amine;2-phenylquinolin-4-amine;6-propoxyquinolin-4-amine.

Molecular Properties

Compound Name4-amino-6-butylquinoline-3-carboxylic acid;(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethyl-2-methylquinoline-3-carboxylic acid;decakis(carbon dioxide);5-(cyclohexylmethoxy)-2-methylquinolin-4-amine;5-cyclopropyl-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;2-ethylquinolin-4-amine;3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-methylquinolin-4-amine;2-phenylquinolin-4-amine;6-propoxyquinolin-4-amine
PubChem CID160905821
Molecular FormulaC158H164N22O29
Molecular Weight2835.17 g/mol
Exact Mass2833.20
IUPAC Name4-amino-6-butylquinoline-3-carboxylic acid;(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethyl-2-methylquinoline-3-carboxylic acid;decakis(carbon dioxide);5-(cyclohexylmethoxy)-2-methylquinolin-4-amine;5-cyclopropyl-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;2-ethylquinolin-4-amine;3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-methylquinolin-4-amine;2-phenylquinolin-4-amine;6-propoxyquinolin-4-amine
SMILESCCCCc1ccc2ncc(C(=O)O)c(N)c2c1.CCCOc1ccc2nccc(N)c2c1.CCc1cc(N)c2ccccc2n1.CCc1ccc2nc(C)c(C(=O)O)c(N)c2c1.Cc1cc(N)c2c(C)cccc2n1.Cc1cc(N)c2c(C3CC3)cccc2n1.Cc1cc(N)c2c(OCC3CCCCC3)cccc2n1.Cc1cc(N)c2c3c(ccc2n1)C1CCCCC1O3.Cc1ccc2nccc(N)c2c1.Nc1cc(-c2ccccc2)nc2ccccc12.Nc1cc(CO)nc2cccc(OC3CCCCC3)c12.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C17H22N2O.C16H20N2O2.C16H18N2O.C15H12N2.C14H16N2O2.C13H14N2O2.C13H14N2.C12H14N2O.2C11H12N2.C10H10N2.10CO2/c1-12-10-14(18)17-15(19-12)8-5-9-16(17)20-11-13-6-3-2-4-7-13;17-13-9-11(10-19)18-14-7-4-8-15(16(13)14)20-12-5-2-1-3-6-12;1-9-8-12(17)15-13(18-9)7-6-11-10-4-2-3-5-14(10)19-16(11)15;16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;1-2-3-4-9-5-6-12-10(7-9)13(15)11(8-16-12)14(17)18;1-3-8-4-5-10-9(6-8)12(14)11(13(16)17)7(2)15-10;1-8-7-11(14)13-10(9-5-6-9)3-2-4-12(13)15-8;1-2-7-15-9-3-4-12-10(8-9)11(13)5-6-14-12;1-7-4-3-5-10-11(7)9(12)6-8(2)13-10;1-2-8-7-10(12)9-5-3-4-6-11(9)13-8;1-7-2-3-10-8(6-7)9(11)4-5-12-10;10*2-1-3/h5,8-10,13H,2-4,6-7,11H2,1H3,(H2,18,19);4,7-9,12,19H,1-3,5-6,10H2,(H2,17,18);6-8,10,14H,2-5H2,1H3,(H2,17,18);1-10H,(H2,16,17);5-8H,2-4H2,1H3,(H2,15,16)(H,17,18);4-6H,3H2,1-2H3,(H2,14,15)(H,16,17);2-4,7,9H,5-6H2,1H3,(H2,14,15);3-6,8H,2,7H2,1H3,(H2,13,14);3-6H,1-2H3,(H2,12,13);3-7H,2H2,1H3,(H2,12,13);2-6H,1H3,(H2,11,12);;;;;;;;;;
InChIKeySQCWYOYNTHDOTM-UHFFFAOYSA-N
XLogP26.09
TPSA901.16 Ų
H-Bond Donors14
H-Bond Acceptors49
Rotatable Bonds18
Heavy Atoms209
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002835.17
LogP ≤ 526.09
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1049

Analyze 4-amino-6-butylquinoline-3-carboxylic acid;(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethyl-2-methylquinoline-3-carboxylic acid;decakis(carbon dioxide);5-(cyclohexylmethoxy)-2-methylquinolin-4-amine;5-cyclopropyl-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;2-ethylquinolin-4-amine;3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-methylquinolin-4-amine;2-phenylquinolin-4-amine;6-propoxyquinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-butylquinoline-3-carboxylic acid;(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethyl-2-methylquinoline-3-carboxylic acid;decakis(carbon dioxide);5-(cyclohexylmethoxy)-2-methylquinolin-4-amine;5-cyclopropyl-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;2-ethylquinolin-4-amine;3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-methylquinolin-4-amine;2-phenylquinolin-4-amine;6-propoxyquinolin-4-amine?
The IUPAC name of 4-amino-6-butylquinoline-3-carboxylic acid;(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethyl-2-methylquinoline-3-carboxylic acid;decakis(carbon dioxide);5-(cyclohexylmethoxy)-2-methylquinolin-4-amine;5-cyclopropyl-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;2-ethylquinolin-4-amine;3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-methylquinolin-4-amine;2-phenylquinolin-4-amine;6-propoxyquinolin-4-amine (CID 160905821) is 4-amino-6-butylquinoline-3-carboxylic acid;(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethyl-2-methylquinoline-3-carboxylic acid;decakis(carbon dioxide);5-(cyclohexylmethoxy)-2-methylquinolin-4-amine;5-cyclopropyl-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;2-ethylquinolin-4-amine;3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-methylquinolin-4-amine;2-phenylquinolin-4-amine;6-propoxyquinolin-4-amine.
What is the SMILES notation for 4-amino-6-butylquinoline-3-carboxylic acid;(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethyl-2-methylquinoline-3-carboxylic acid;decakis(carbon dioxide);5-(cyclohexylmethoxy)-2-methylquinolin-4-amine;5-cyclopropyl-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;2-ethylquinolin-4-amine;3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-methylquinolin-4-amine;2-phenylquinolin-4-amine;6-propoxyquinolin-4-amine?
The canonical SMILES for 4-amino-6-butylquinoline-3-carboxylic acid;(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethyl-2-methylquinoline-3-carboxylic acid;decakis(carbon dioxide);5-(cyclohexylmethoxy)-2-methylquinolin-4-amine;5-cyclopropyl-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;2-ethylquinolin-4-amine;3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-methylquinolin-4-amine;2-phenylquinolin-4-amine;6-propoxyquinolin-4-amine is CCCCc1ccc2ncc(C(=O)O)c(N)c2c1.CCCOc1ccc2nccc(N)c2c1.CCc1cc(N)c2ccccc2n1.CCc1ccc2nc(C)c(C(=O)O)c(N)c2c1.Cc1cc(N)c2c(C)cccc2n1.Cc1cc(N)c2c(C3CC3)cccc2n1.Cc1cc(N)c2c(OCC3CCCCC3)cccc2n1.Cc1cc(N)c2c3c(ccc2n1)C1CCCCC1O3.Cc1ccc2nccc(N)c2c1.Nc1cc(-c2ccccc2)nc2ccccc12.Nc1cc(CO)nc2cccc(OC3CCCCC3)c12.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 4-amino-6-butylquinoline-3-carboxylic acid;(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethyl-2-methylquinoline-3-carboxylic acid;decakis(carbon dioxide);5-(cyclohexylmethoxy)-2-methylquinolin-4-amine;5-cyclopropyl-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;2-ethylquinolin-4-amine;3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-methylquinolin-4-amine;2-phenylquinolin-4-amine;6-propoxyquinolin-4-amine?
The InChIKey is SQCWYOYNTHDOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O.C16H20N2O2.C16H18N2O.C15H12N2.C14H16N2O2.C13H14N2O2.C13H14N2.C12H14N2O.2C11H12N2.C10H10N2.10CO2/c1-12-10-14(18)17-15(19-12)8-5-9-16(17)20-11-13-6-3-2-4-7-13;17-13-9-11(10-19)18-14-7-4-8-15(16(13)14)20-12-5-2-1-3-6-12;1-9-8-12(17)15-13(18-9)7-6-11-10-4-2-3-5-14(10)19-16(11)15;16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;1-2-3-4-9-5-6-12-10(7-9)13(15)11(8-16-12)14(17)18;1-3-8-4-5-10-9(6-8)12(14)11(13(16)17)7(2)15-10;1-8-7-11(14)13-10(9-5-6-9)3-2-4-12(13)15-8;1-2-7-15-9-3-4-12-10(8-9)11(13)5-6-14-12;1-7-4-3-5-10-11(7)9(12)6-8(2)13-10;1-2-8-7-10(12)9-5-3-4-6-11(9)13-8;1-7-2-3-10-8(6-7)9(11)4-5-12-10;10*2-1-3/h5,8-10,13H,2-4,6-7,11H2,1H3,(H2,18,19);4,7-9,12,19H,1-3,5-6,10H2,(H2,17,18);6-8,10,14H,2-5H2,1H3,(H2,17,18);1-10H,(H2,16,17);5-8H,2-4H2,1H3,(H2,15,16)(H,17,18);4-6H,3H2,1-2H3,(H2,14,15)(H,16,17);2-4,7,9H,5-6H2,1H3,(H2,14,15);3-6,8H,2,7H2,1H3,(H2,13,14);3-6H,1-2H3,(H2,12,13);3-7H,2H2,1H3,(H2,12,13);2-6H,1H3,(H2,11,12);;;;;;;;;;.
What are the key properties of 4-amino-6-butylquinoline-3-carboxylic acid;(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethyl-2-methylquinoline-3-carboxylic acid;decakis(carbon dioxide);5-(cyclohexylmethoxy)-2-methylquinolin-4-amine;5-cyclopropyl-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;2-ethylquinolin-4-amine;3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-methylquinolin-4-amine;2-phenylquinolin-4-amine;6-propoxyquinolin-4-amine?
4-amino-6-butylquinoline-3-carboxylic acid;(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethyl-2-methylquinoline-3-carboxylic acid;decakis(carbon dioxide);5-(cyclohexylmethoxy)-2-methylquinolin-4-amine;5-cyclopropyl-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;2-ethylquinolin-4-amine;3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-methylquinolin-4-amine;2-phenylquinolin-4-amine;6-propoxyquinolin-4-amine has a molecular weight of 2835.17 g/mol, XLogP of 26.09, 18 rotatable bonds, 14 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-butylquinoline-3-carboxylic acid;(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethyl-2-methylquinoline-3-carboxylic acid;decakis(carbon dioxide);5-(cyclohexylmethoxy)-2-methylquinolin-4-amine;5-cyclopropyl-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;2-ethylquinolin-4-amine;3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-methylquinolin-4-amine;2-phenylquinolin-4-amine;6-propoxyquinolin-4-amine is sourced from PubChem (CID 160905821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).