3-ethyl-1-propan-2-ylisoquinoline;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;methane;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-1H-quinoline;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol

C221H268F2N10O13 — CID 158879339

About 3-ethyl-1-propan-2-ylisoquinoline;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;methane;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-1H-quinoline;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol

3-ethyl-1-propan-2-ylisoquinoline;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;methane;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-1H-quinoline;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 158879339) has the molecular formula C221H268F2N10O13 and a molecular weight of 3310.63 g/mol. Its IUPAC name is 3-ethyl-1-propan-2-ylisoquinoline;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;methane;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-1H-quinoline;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

• Compound Name: 3-ethyl-1-propan-2-ylisoquinoline;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;methane;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-1H-quinoline;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
• PubChem CID: 158879339
• Molecular Formula: C221H268F2N10O13
• Molecular Weight: 3310.63 g/mol
• Exact Mass: 3308.06
• IUPAC Name: 3-ethyl-1-propan-2-ylisoquinoline;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;methane;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-1H-quinoline;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
• SMILES: C.C.C.C=C1C=Cc2cccc(C(C)C)c2N1.C=C1NCc2cc(O)cc(C(C)C)c2N1.CC(C)c1cc(O)c(F)c2ccccc12.CC(C)c1cc(O)cc2c1CCCC2.CC(C)c1cc(O)cc2c1CN(C)CC2.CC(C)c1cc(O)cc2c1NC(=O)CC2.CC(C)c1cc(O)cc2cc(F)ccc12.CC(C)c1cc(O)cc2ccccc12.CC(C)c1cc(O)cc2cccnc12.CC(C)c1cccc2cccnc12.CC(C)c1ccnc2c1C=CC2.CC(C)c1cncc2c1C=CC2.CCc1cc2ccccc2c(C(C)C)n1.COc1ccc2ccccc2c1C(C)C.Cc1ccc2c(C(C)C)cc(O)cc2c1.Cc1ccc2cc(O)cc(C(C)C)c2c1.Cc1ccc2cc(O)cc(C(C)C)c2c1
• InChI: InChI=1S/C14H17N.4C14H16O.2C13H13FO.C13H19NO.C13H15N.C13H18O.C13H14O.C12H16N2O.C12H15NO2.C12H13NO.C12H13N.2C11H13N.3CH4/c1-4-12-9-11-7-5-6-8-13(11)14(15-12)10(2)3;1-9(2)14-8-12(15)7-11-6-10(3)4-5-13(11)14;2*1-9(2)13-8-12(15)7-11-5-4-10(3)6-14(11)13;1-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15-3;1-8(2)13-7-11(15)6-9-5-10(14)3-4-12(9)13;1-8(2)11-7-12(15)13(14)10-6-4-3-5-9(10)11;1-9(2)12-7-11(15)6-10-4-5-14(3)8-13(10)12;1-9(2)12-6-4-5-11-8-7-10(3)14-13(11)12;2*1-9(2)13-8-11(14)7-10-5-3-4-6-12(10)13;1-7(2)11-5-10(15)4-9-6-13-8(3)14-12(9)11;1-7(2)10-6-9(14)5-8-3-4-11(15)13-12(8)10;1-8(2)11-7-10(14)6-9-4-3-5-13-12(9)11;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-8(2)11-7-12-6-9-4-3-5-10(9)11;1-8(2)9-6-7-12-11-5-3-4-10(9)11;;;/h5-10H,4H2,1-3H3;3*4-9,15H,1-3H3;4-10H,1-3H3;2*3-8,15H,1-2H3;6-7,9,15H,4-5,8H2,1-3H3;4-9,14H,3H2,1-2H3;7-9,14H,3-6H2,1-2H3;3-9,14H,1-2H3;4-5,7,13-15H,3,6H2,1-2H3;5-7,14H,3-4H2,1-2H3,(H,13,15);3-8,14H,1-2H3;3-9H,1-2H3;3,5-8H,4H2,1-2H3;3-4,6-8H,5H2,1-2H3;3*1H4
• InChIKey: JCVNCJXBCGRBSW-UHFFFAOYSA-N
• XLogP: 59.55
• TPSA: 364.64 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3310.63
LogP ≤ 5	59.55
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propan-2-ylisoquinoline;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;methane;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-1H-quinoline;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol?

The IUPAC name of 3-ethyl-1-propan-2-ylisoquinoline;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;methane;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-1H-quinoline;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 158879339) is 3-ethyl-1-propan-2-ylisoquinoline;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;methane;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-1H-quinoline;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol.

What is the SMILES notation for 3-ethyl-1-propan-2-ylisoquinoline;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;methane;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-1H-quinoline;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol?

The canonical SMILES for 3-ethyl-1-propan-2-ylisoquinoline;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;methane;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-1H-quinoline;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol is C.C.C.C=C1C=Cc2cccc(C(C)C)c2N1.C=C1NCc2cc(O)cc(C(C)C)c2N1.CC(C)c1cc(O)c(F)c2ccccc12.CC(C)c1cc(O)cc2c1CCCC2.CC(C)c1cc(O)cc2c1CN(C)CC2.CC(C)c1cc(O)cc2c1NC(=O)CC2.CC(C)c1cc(O)cc2cc(F)ccc12.CC(C)c1cc(O)cc2ccccc12.CC(C)c1cc(O)cc2cccnc12.CC(C)c1cccc2cccnc12.CC(C)c1ccnc2c1C=CC2.CC(C)c1cncc2c1C=CC2.CCc1cc2ccccc2c(C(C)C)n1.COc1ccc2ccccc2c1C(C)C.Cc1ccc2c(C(C)C)cc(O)cc2c1.Cc1ccc2cc(O)cc(C(C)C)c2c1.Cc1ccc2cc(O)cc(C(C)C)c2c1.

What is the InChIKey of 3-ethyl-1-propan-2-ylisoquinoline;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;methane;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-1H-quinoline;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol?

The InChIKey is JCVNCJXBCGRBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N.4C14H16O.2C13H13FO.C13H19NO.C13H15N.C13H18O.C13H14O.C12H16N2O.C12H15NO2.C12H13NO.C12H13N.2C11H13N.3CH4/c1-4-12-9-11-7-5-6-8-13(11)14(15-12)10(2)3;1-9(2)14-8-12(15)7-11-6-10(3)4-5-13(11)14;2*1-9(2)13-8-12(15)7-11-5-4-10(3)6-14(11)13;1-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15-3;1-8(2)13-7-11(15)6-9-5-10(14)3-4-12(9)13;1-8(2)11-7-12(15)13(14)10-6-4-3-5-9(10)11;1-9(2)12-7-11(15)6-10-4-5-14(3)8-13(10)12;1-9(2)12-6-4-5-11-8-7-10(3)14-13(11)12;2*1-9(2)13-8-11(14)7-10-5-3-4-6-12(10)13;1-7(2)11-5-10(15)4-9-6-13-8(3)14-12(9)11;1-7(2)10-6-9(14)5-8-3-4-11(15)13-12(8)10;1-8(2)11-7-10(14)6-9-4-3-5-13-12(9)11;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-8(2)11-7-12-6-9-4-3-5-10(9)11;1-8(2)9-6-7-12-11-5-3-4-10(9)11;;;/h5-10H,4H2,1-3H3;3*4-9,15H,1-3H3;4-10H,1-3H3;2*3-8,15H,1-2H3;6-7,9,15H,4-5,8H2,1-3H3;4-9,14H,3H2,1-2H3;7-9,14H,3-6H2,1-2H3;3-9,14H,1-2H3;4-5,7,13-15H,3,6H2,1-2H3;5-7,14H,3-4H2,1-2H3,(H,13,15);3-8,14H,1-2H3;3-9H,1-2H3;3,5-8H,4H2,1-2H3;3-4,6-8H,5H2,1-2H3;3*1H4.

What are the key properties of 3-ethyl-1-propan-2-ylisoquinoline;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;methane;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-1H-quinoline;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol?

3-ethyl-1-propan-2-ylisoquinoline;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;methane;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-1H-quinoline;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 3310.63 g/mol, XLogP of 59.55, 19 rotatable bonds, 15 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-1-propan-2-ylisoquinoline;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;methane;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-1H-quinoline;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 158879339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).