4-amino-2-methyl-6-propylquinoline-3-carboxylic acid;undecakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2,2-dimethylpropoxy)-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine;6-propoxyquinolin-4-amine

C159H180N22O30S — CID 158126796

IUPAC4-amino-2-methyl-6-propylquinoline-3-carboxylic acid;undecakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2,2-dimethylpropoxy)-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine;6-propoxyquinolin-4-amine
SMILESCCC(CC)COc1cccc2nc(C)cc(N)c12.CCCOc1ccc2nccc(N)c2c1.CCCc1ccc2nc(C)c(C(=O)O)c(N)c2c1.COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(C)cccc2n1.Cc1cc(N)c2c(CCC(C)(C)C)cccc2n1.Cc1cc(N)c2c(OC3CCCC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)C)cccc2n1.Cc1cc(N)c2c(OCC3CCCC3)cccc2n1.Cc1cc(N)c2c3c(sc2n1)CCCC3.Cc1cc(N)c2ccccc2n1.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.O=C=O
InChIInChI=1S/C16H20N2O.C16H22N2O.C16H22N2.C15H18N2O.C15H20N2O.C14H16N2O2.C12H14N2O.C12H14N2S.C11H12N2O.C11H12N2.C10H10N2.11CO2/c1-11-9-13(17)16-14(18-11)7-4-8-15(16)19-10-12-5-2-3-6-12;1-4-12(5-2)10-19-15-8-6-7-14-16(15)13(17)9-11(3)18-14;1-11-10-13(17)15-12(8-9-16(2,3)4)6-5-7-14(15)18-11;1-10-9-12(16)15-13(17-10)7-4-8-14(15)18-11-5-2-3-6-11;1-10-8-11(16)14-12(17-10)6-5-7-13(14)18-9-15(2,3)4;1-3-4-9-5-6-11-10(7-9)13(15)12(14(17)18)8(2)16-11;1-2-7-15-9-3-4-12-10(8-9)11(13)5-6-14-12;1-7-6-9(13)11-8-4-2-3-5-10(8)15-12(11)14-7;1-7-6-8(12)11-9(13-7)4-3-5-10(11)14-2;1-7-4-3-5-10-11(7)9(12)6-8(2)13-10;1-7-6-9(11)8-4-2-3-5-10(8)12-7;11*2-1-3/h4,7-9,12H,2-3,5-6,10H2,1H3,(H2,17,18);6-9,12H,4-5,10H2,1-3H3,(H2,17,18);5-7,10H,8-9H2,1-4H3,(H2,17,18);4,7-9,11H,2-3,5-6H2,1H3,(H2,16,17);5-8H,9H2,1-4H3,(H2,16,17);5-7H,3-4H2,1-2H3,(H2,15,16)(H,17,18);3-6,8H,2,7H2,1H3,(H2,13,14);6H,2-5H2,1H3,(H2,13,14);3-6H,1-2H3,(H2,12,13);3-6H,1-2H3,(H2,12,13);2-6H,1H3,(H2,11,12);;;;;;;;;;;
InChIKeyFSGUNXGRNAKNIV-UHFFFAOYSA-N
MW2911.38 g/mol
LogP27.46
Rot. Bonds21

About 4-amino-2-methyl-6-propylquinoline-3-carboxylic acid;undecakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2,2-dimethylpropoxy)-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine;6-propoxyquinolin-4-amine

4-amino-2-methyl-6-propylquinoline-3-carboxylic acid;undecakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2,2-dimethylpropoxy)-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine;6-propoxyquinolin-4-amine (PubChem CID 158126796) has the molecular formula C159H180N22O30S and a molecular weight of 2911.38 g/mol. Its IUPAC name is 4-amino-2-methyl-6-propylquinoline-3-carboxylic acid;undecakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2,2-dimethylpropoxy)-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine;6-propoxyquinolin-4-amine.

Molecular Properties

Compound Name4-amino-2-methyl-6-propylquinoline-3-carboxylic acid;undecakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2,2-dimethylpropoxy)-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine;6-propoxyquinolin-4-amine
PubChem CID158126796
Molecular FormulaC159H180N22O30S
Molecular Weight2911.38 g/mol
Exact Mass2909.30
IUPAC Name4-amino-2-methyl-6-propylquinoline-3-carboxylic acid;undecakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2,2-dimethylpropoxy)-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine;6-propoxyquinolin-4-amine
SMILESCCC(CC)COc1cccc2nc(C)cc(N)c12.CCCOc1ccc2nccc(N)c2c1.CCCc1ccc2nc(C)c(C(=O)O)c(N)c2c1.COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(C)cccc2n1.Cc1cc(N)c2c(CCC(C)(C)C)cccc2n1.Cc1cc(N)c2c(OC3CCCC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)C)cccc2n1.Cc1cc(N)c2c(OCC3CCCC3)cccc2n1.Cc1cc(N)c2c3c(sc2n1)CCCC3.Cc1cc(N)c2ccccc2n1.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.O=C=O
InChIInChI=1S/C16H20N2O.C16H22N2O.C16H22N2.C15H18N2O.C15H20N2O.C14H16N2O2.C12H14N2O.C12H14N2S.C11H12N2O.C11H12N2.C10H10N2.11CO2/c1-11-9-13(17)16-14(18-11)7-4-8-15(16)19-10-12-5-2-3-6-12;1-4-12(5-2)10-19-15-8-6-7-14-16(15)13(17)9-11(3)18-14;1-11-10-13(17)15-12(8-9-16(2,3)4)6-5-7-14(15)18-11;1-10-9-12(16)15-13(17-10)7-4-8-14(15)18-11-5-2-3-6-11;1-10-8-11(16)14-12(17-10)6-5-7-13(14)18-9-15(2,3)4;1-3-4-9-5-6-11-10(7-9)13(15)12(14(17)18)8(2)16-11;1-2-7-15-9-3-4-12-10(8-9)11(13)5-6-14-12;1-7-6-9(13)11-8-4-2-3-5-10(8)15-12(11)14-7;1-7-6-8(12)11-9(13-7)4-3-5-10(11)14-2;1-7-4-3-5-10-11(7)9(12)6-8(2)13-10;1-7-6-9(11)8-4-2-3-5-10(8)12-7;11*2-1-3/h4,7-9,12H,2-3,5-6,10H2,1H3,(H2,17,18);6-9,12H,4-5,10H2,1-3H3,(H2,17,18);5-7,10H,8-9H2,1-4H3,(H2,17,18);4,7-9,11H,2-3,5-6H2,1H3,(H2,16,17);5-8H,9H2,1-4H3,(H2,16,17);5-7H,3-4H2,1-2H3,(H2,15,16)(H,17,18);3-6,8H,2,7H2,1H3,(H2,13,14);6H,2-5H2,1H3,(H2,13,14);3-6H,1-2H3,(H2,12,13);3-6H,1-2H3,(H2,12,13);2-6H,1H3,(H2,11,12);;;;;;;;;;;
InChIKeyFSGUNXGRNAKNIV-UHFFFAOYSA-N
XLogP27.46
TPSA896.23 Ų
H-Bond Donors12
H-Bond Acceptors52
Rotatable Bonds21
Heavy Atoms212
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002911.38
LogP ≤ 527.46
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1052

Analyze 4-amino-2-methyl-6-propylquinoline-3-carboxylic acid;undecakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2,2-dimethylpropoxy)-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine;6-propoxyquinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-6-propylquinoline-3-carboxylic acid;undecakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2,2-dimethylpropoxy)-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine;6-propoxyquinolin-4-amine?
The IUPAC name of 4-amino-2-methyl-6-propylquinoline-3-carboxylic acid;undecakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2,2-dimethylpropoxy)-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine;6-propoxyquinolin-4-amine (CID 158126796) is 4-amino-2-methyl-6-propylquinoline-3-carboxylic acid;undecakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2,2-dimethylpropoxy)-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine;6-propoxyquinolin-4-amine.
What is the SMILES notation for 4-amino-2-methyl-6-propylquinoline-3-carboxylic acid;undecakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2,2-dimethylpropoxy)-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine;6-propoxyquinolin-4-amine?
The canonical SMILES for 4-amino-2-methyl-6-propylquinoline-3-carboxylic acid;undecakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2,2-dimethylpropoxy)-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine;6-propoxyquinolin-4-amine is CCC(CC)COc1cccc2nc(C)cc(N)c12.CCCOc1ccc2nccc(N)c2c1.CCCc1ccc2nc(C)c(C(=O)O)c(N)c2c1.COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(C)cccc2n1.Cc1cc(N)c2c(CCC(C)(C)C)cccc2n1.Cc1cc(N)c2c(OC3CCCC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)C)cccc2n1.Cc1cc(N)c2c(OCC3CCCC3)cccc2n1.Cc1cc(N)c2c3c(sc2n1)CCCC3.Cc1cc(N)c2ccccc2n1.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.O=C=O.
What is the InChIKey of 4-amino-2-methyl-6-propylquinoline-3-carboxylic acid;undecakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2,2-dimethylpropoxy)-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine;6-propoxyquinolin-4-amine?
The InChIKey is FSGUNXGRNAKNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O.C16H22N2O.C16H22N2.C15H18N2O.C15H20N2O.C14H16N2O2.C12H14N2O.C12H14N2S.C11H12N2O.C11H12N2.C10H10N2.11CO2/c1-11-9-13(17)16-14(18-11)7-4-8-15(16)19-10-12-5-2-3-6-12;1-4-12(5-2)10-19-15-8-6-7-14-16(15)13(17)9-11(3)18-14;1-11-10-13(17)15-12(8-9-16(2,3)4)6-5-7-14(15)18-11;1-10-9-12(16)15-13(17-10)7-4-8-14(15)18-11-5-2-3-6-11;1-10-8-11(16)14-12(17-10)6-5-7-13(14)18-9-15(2,3)4;1-3-4-9-5-6-11-10(7-9)13(15)12(14(17)18)8(2)16-11;1-2-7-15-9-3-4-12-10(8-9)11(13)5-6-14-12;1-7-6-9(13)11-8-4-2-3-5-10(8)15-12(11)14-7;1-7-6-8(12)11-9(13-7)4-3-5-10(11)14-2;1-7-4-3-5-10-11(7)9(12)6-8(2)13-10;1-7-6-9(11)8-4-2-3-5-10(8)12-7;11*2-1-3/h4,7-9,12H,2-3,5-6,10H2,1H3,(H2,17,18);6-9,12H,4-5,10H2,1-3H3,(H2,17,18);5-7,10H,8-9H2,1-4H3,(H2,17,18);4,7-9,11H,2-3,5-6H2,1H3,(H2,16,17);5-8H,9H2,1-4H3,(H2,16,17);5-7H,3-4H2,1-2H3,(H2,15,16)(H,17,18);3-6,8H,2,7H2,1H3,(H2,13,14);6H,2-5H2,1H3,(H2,13,14);3-6H,1-2H3,(H2,12,13);3-6H,1-2H3,(H2,12,13);2-6H,1H3,(H2,11,12);;;;;;;;;;;.
What are the key properties of 4-amino-2-methyl-6-propylquinoline-3-carboxylic acid;undecakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2,2-dimethylpropoxy)-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine;6-propoxyquinolin-4-amine?
4-amino-2-methyl-6-propylquinoline-3-carboxylic acid;undecakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2,2-dimethylpropoxy)-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine;6-propoxyquinolin-4-amine has a molecular weight of 2911.38 g/mol, XLogP of 27.46, 21 rotatable bonds, 12 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-6-propylquinoline-3-carboxylic acid;undecakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2,2-dimethylpropoxy)-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine;6-propoxyquinolin-4-amine is sourced from PubChem (CID 158126796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).