(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethoxyquinoline-3-carboxylic acid;4-amino-6-methoxy-2-methylquinoline-3-carboxylic acid;pentakis(carbon dioxide);3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-phenoxyquinolin-4-amine;6-propan-2-yloxyquinolin-4-amine;6-propoxyquinolin-4-amine

C100H102N14O22 — CID 160508802

IUPAC(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethoxyquinoline-3-carboxylic acid;4-amino-6-methoxy-2-methylquinoline-3-carboxylic acid;pentakis(carbon dioxide);3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-phenoxyquinolin-4-amine;6-propan-2-yloxyquinolin-4-amine;6-propoxyquinolin-4-amine
SMILESCC(C)Oc1ccc2nccc(N)c2c1.CCCOc1ccc2nccc(N)c2c1.CCOc1ccc2ncc(C(=O)O)c(N)c2c1.COc1ccc2nc(C)c(C(=O)O)c(N)c2c1.Cc1cc(N)c2c3c(ccc2n1)C1CCCCC1O3.Nc1cc(CO)nc2cccc(OC3CCCCC3)c12.Nc1ccnc2ccc(Oc3ccccc3)cc12.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C16H20N2O2.C16H18N2O.C15H12N2O.2C12H12N2O3.2C12H14N2O.5CO2/c17-13-9-11(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;16-14-8-9-17-15-7-6-12(10-13(14)15)18-11-4-2-1-3-5-11;1-6-10(12(15)16)11(13)8-5-7(17-2)3-4-9(8)14-6;1-2-17-7-3-4-10-8(5-7)11(13)9(6-14-10)12(15)16;1-8(2)15-9-3-4-12-10(7-9)11(13)5-6-14-12;1-2-7-15-9-3-4-12-10(8-9)11(13)5-6-14-12;5*2-1-3/h4,7-9,12,19H,1-3,5-6,10H2,(H2,17,18);6-8,10,14H,2-5H2,1H3,(H2,17,18);1-10H,(H2,16,17);3-5H,1-2H3,(H2,13,14)(H,15,16);3-6H,2H2,1H3,(H2,13,14)(H,15,16);3-8H,1-2H3,(H2,13,14);3-6,8H,2,7H2,1H3,(H2,13,14);;;;;
InChIKeyQSTQNFHSOSNAGX-UHFFFAOYSA-N
MW1851.99 g/mol
LogP16.21
Rot. Bonds15

About (4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethoxyquinoline-3-carboxylic acid;4-amino-6-methoxy-2-methylquinoline-3-carboxylic acid;pentakis(carbon dioxide);3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-phenoxyquinolin-4-amine;6-propan-2-yloxyquinolin-4-amine;6-propoxyquinolin-4-amine

(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethoxyquinoline-3-carboxylic acid;4-amino-6-methoxy-2-methylquinoline-3-carboxylic acid;pentakis(carbon dioxide);3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-phenoxyquinolin-4-amine;6-propan-2-yloxyquinolin-4-amine;6-propoxyquinolin-4-amine (PubChem CID 160508802) has the molecular formula C100H102N14O22 and a molecular weight of 1851.99 g/mol. Its IUPAC name is (4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethoxyquinoline-3-carboxylic acid;4-amino-6-methoxy-2-methylquinoline-3-carboxylic acid;pentakis(carbon dioxide);3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-phenoxyquinolin-4-amine;6-propan-2-yloxyquinolin-4-amine;6-propoxyquinolin-4-amine.

Molecular Properties

Compound Name(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethoxyquinoline-3-carboxylic acid;4-amino-6-methoxy-2-methylquinoline-3-carboxylic acid;pentakis(carbon dioxide);3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-phenoxyquinolin-4-amine;6-propan-2-yloxyquinolin-4-amine;6-propoxyquinolin-4-amine
PubChem CID160508802
Molecular FormulaC100H102N14O22
Molecular Weight1851.99 g/mol
Exact Mass1850.73
IUPAC Name(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethoxyquinoline-3-carboxylic acid;4-amino-6-methoxy-2-methylquinoline-3-carboxylic acid;pentakis(carbon dioxide);3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-phenoxyquinolin-4-amine;6-propan-2-yloxyquinolin-4-amine;6-propoxyquinolin-4-amine
SMILESCC(C)Oc1ccc2nccc(N)c2c1.CCCOc1ccc2nccc(N)c2c1.CCOc1ccc2ncc(C(=O)O)c(N)c2c1.COc1ccc2nc(C)c(C(=O)O)c(N)c2c1.Cc1cc(N)c2c3c(ccc2n1)C1CCCCC1O3.Nc1cc(CO)nc2cccc(OC3CCCCC3)c12.Nc1ccnc2ccc(Oc3ccccc3)cc12.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C16H20N2O2.C16H18N2O.C15H12N2O.2C12H12N2O3.2C12H14N2O.5CO2/c17-13-9-11(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;16-14-8-9-17-15-7-6-12(10-13(14)15)18-11-4-2-1-3-5-11;1-6-10(12(15)16)11(13)8-5-7(17-2)3-4-9(8)14-6;1-2-17-7-3-4-10-8(5-7)11(13)9(6-14-10)12(15)16;1-8(2)15-9-3-4-12-10(7-9)11(13)5-6-14-12;1-2-7-15-9-3-4-12-10(8-9)11(13)5-6-14-12;5*2-1-3/h4,7-9,12,19H,1-3,5-6,10H2,(H2,17,18);6-8,10,14H,2-5H2,1H3,(H2,17,18);1-10H,(H2,16,17);3-5H,1-2H3,(H2,13,14)(H,15,16);3-6H,2H2,1H3,(H2,13,14)(H,15,16);3-8H,1-2H3,(H2,13,14);3-6,8H,2,7H2,1H3,(H2,13,14);;;;;
InChIKeyQSTQNFHSOSNAGX-UHFFFAOYSA-N
XLogP16.21
TPSA602.51 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds15
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001851.99
LogP ≤ 516.21
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Analyze (4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethoxyquinoline-3-carboxylic acid;4-amino-6-methoxy-2-methylquinoline-3-carboxylic acid;pentakis(carbon dioxide);3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-phenoxyquinolin-4-amine;6-propan-2-yloxyquinolin-4-amine;6-propoxyquinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethoxyquinoline-3-carboxylic acid;4-amino-6-methoxy-2-methylquinoline-3-carboxylic acid;pentakis(carbon dioxide);3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-phenoxyquinolin-4-amine;6-propan-2-yloxyquinolin-4-amine;6-propoxyquinolin-4-amine?
The IUPAC name of (4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethoxyquinoline-3-carboxylic acid;4-amino-6-methoxy-2-methylquinoline-3-carboxylic acid;pentakis(carbon dioxide);3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-phenoxyquinolin-4-amine;6-propan-2-yloxyquinolin-4-amine;6-propoxyquinolin-4-amine (CID 160508802) is (4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethoxyquinoline-3-carboxylic acid;4-amino-6-methoxy-2-methylquinoline-3-carboxylic acid;pentakis(carbon dioxide);3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-phenoxyquinolin-4-amine;6-propan-2-yloxyquinolin-4-amine;6-propoxyquinolin-4-amine.
What is the SMILES notation for (4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethoxyquinoline-3-carboxylic acid;4-amino-6-methoxy-2-methylquinoline-3-carboxylic acid;pentakis(carbon dioxide);3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-phenoxyquinolin-4-amine;6-propan-2-yloxyquinolin-4-amine;6-propoxyquinolin-4-amine?
The canonical SMILES for (4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethoxyquinoline-3-carboxylic acid;4-amino-6-methoxy-2-methylquinoline-3-carboxylic acid;pentakis(carbon dioxide);3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-phenoxyquinolin-4-amine;6-propan-2-yloxyquinolin-4-amine;6-propoxyquinolin-4-amine is CC(C)Oc1ccc2nccc(N)c2c1.CCCOc1ccc2nccc(N)c2c1.CCOc1ccc2ncc(C(=O)O)c(N)c2c1.COc1ccc2nc(C)c(C(=O)O)c(N)c2c1.Cc1cc(N)c2c3c(ccc2n1)C1CCCCC1O3.Nc1cc(CO)nc2cccc(OC3CCCCC3)c12.Nc1ccnc2ccc(Oc3ccccc3)cc12.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of (4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethoxyquinoline-3-carboxylic acid;4-amino-6-methoxy-2-methylquinoline-3-carboxylic acid;pentakis(carbon dioxide);3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-phenoxyquinolin-4-amine;6-propan-2-yloxyquinolin-4-amine;6-propoxyquinolin-4-amine?
The InChIKey is QSTQNFHSOSNAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.C16H18N2O.C15H12N2O.2C12H12N2O3.2C12H14N2O.5CO2/c17-13-9-11(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;16-14-8-9-17-15-7-6-12(10-13(14)15)18-11-4-2-1-3-5-11;1-6-10(12(15)16)11(13)8-5-7(17-2)3-4-9(8)14-6;1-2-17-7-3-4-10-8(5-7)11(13)9(6-14-10)12(15)16;1-8(2)15-9-3-4-12-10(7-9)11(13)5-6-14-12;1-2-7-15-9-3-4-12-10(8-9)11(13)5-6-14-12;5*2-1-3/h4,7-9,12,19H,1-3,5-6,10H2,(H2,17,18);6-8,10,14H,2-5H2,1H3,(H2,17,18);1-10H,(H2,16,17);3-5H,1-2H3,(H2,13,14)(H,15,16);3-6H,2H2,1H3,(H2,13,14)(H,15,16);3-8H,1-2H3,(H2,13,14);3-6,8H,2,7H2,1H3,(H2,13,14);;;;;.
What are the key properties of (4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethoxyquinoline-3-carboxylic acid;4-amino-6-methoxy-2-methylquinoline-3-carboxylic acid;pentakis(carbon dioxide);3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-phenoxyquinolin-4-amine;6-propan-2-yloxyquinolin-4-amine;6-propoxyquinolin-4-amine?
(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethoxyquinoline-3-carboxylic acid;4-amino-6-methoxy-2-methylquinoline-3-carboxylic acid;pentakis(carbon dioxide);3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-phenoxyquinolin-4-amine;6-propan-2-yloxyquinolin-4-amine;6-propoxyquinolin-4-amine has a molecular weight of 1851.99 g/mol, XLogP of 16.21, 15 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethoxyquinoline-3-carboxylic acid;4-amino-6-methoxy-2-methylquinoline-3-carboxylic acid;pentakis(carbon dioxide);3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-phenoxyquinolin-4-amine;6-propan-2-yloxyquinolin-4-amine;6-propoxyquinolin-4-amine is sourced from PubChem (CID 160508802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).