3-ethyl-1-propan-2-ylisoquinoline;1-fluoro-4-propan-2-ylnaphthalen-2-ol;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-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);bis(7-methyl-4-propan-2-ylnaphthalen-2-ol);8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinazolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol

C229H273FN12O12 — CID 159247929

About 3-ethyl-1-propan-2-ylisoquinoline;1-fluoro-4-propan-2-ylnaphthalen-2-ol;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-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);bis(7-methyl-4-propan-2-ylnaphthalen-2-ol);8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinazolin-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;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-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);bis(7-methyl-4-propan-2-ylnaphthalen-2-ol);8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinazolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 159247929) has the molecular formula C229H273FN12O12 and a molecular weight of 3404.77 g/mol. Its IUPAC name is 3-ethyl-1-propan-2-ylisoquinoline;1-fluoro-4-propan-2-ylnaphthalen-2-ol;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-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);bis(7-methyl-4-propan-2-ylnaphthalen-2-ol);8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinazolin-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;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-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);bis(7-methyl-4-propan-2-ylnaphthalen-2-ol);8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinazolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
• PubChem CID: 159247929
• Molecular Formula: C229H273FN12O12
• Molecular Weight: 3404.77 g/mol
• Exact Mass: 3402.11
• IUPAC Name: 3-ethyl-1-propan-2-ylisoquinoline;1-fluoro-4-propan-2-ylnaphthalen-2-ol;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-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);bis(7-methyl-4-propan-2-ylnaphthalen-2-ol);8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinazolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
• SMILES: C=C1CCc2cc(O)cc(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)cc2ccccc12.CC(C)c1cc(O)cc2cncnc12.CC(C)c1cccc2ccnnc12.CC(C)c1ccnc2c1C=CC2.CC(C)c1cncc2c1C=CC2.CC(C)c1nccc2c1C=CC2.CCc1cc2ccccc2c(C(C)C)n1.COc1ccc2ccccc2c1C(C)C.Cc1ccc2c(C(C)C)cc(O)cc2c1.Cc1ccc2c(C(C)C)cc(O)cc2c1.Cc1ccc2c(c1C(C)C)C=CC2.Cc1ccc2cc(O)cc(C(C)C)c2c1.Cc1ccc2cc(O)cc(C(C)C)c2c1
• InChI: InChI=1S/C14H17N.5C14H16O.C13H13FO.C13H19NO.C13H17NO.C13H18O.C13H14O.C13H16.C12H16N2O.C11H12N2O.C11H12N2.3C11H13N/c1-4-12-9-11-7-5-6-8-13(11)14(15-12)10(2)3;2*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)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;1-8(2)12-7-11(15)6-10-5-4-9(3)14-13(10)12;2*1-9(2)13-8-11(14)7-10-5-3-4-6-12(10)13;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-7(2)11-5-10(15)4-9-6-13-8(3)14-12(9)11;1-7(2)10-4-9(14)3-8-5-12-6-13-11(8)10;1-8(2)10-5-3-4-9-6-7-12-13-11(9)10;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;1-8(2)11-10-5-3-4-9(10)6-7-12-11/h5-10H,4H2,1-3H3;4*4-9,15H,1-3H3;4-10H,1-3H3;3-8,15H,1-2H3;6-7,9,15H,4-5,8H2,1-3H3;6-8,14-15H,3-5H2,1-2H3;7-9,14H,3-6H2,1-2H3;3-9,14H,1-2H3;4,6-9H,5H2,1-3H3;4-5,7,13-15H,3,6H2,1-2H3;3-7,14H,1-2H3;3-8H,1-2H3;3,5-8H,4H2,1-2H3;3-4,6-8H,5H2,1-2H3;3,5-8H,4H2,1-2H3
• InChIKey: KUXLUYGDCKDYTP-UHFFFAOYSA-N
• XLogP: 60.29
• TPSA: 374.21 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 254
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3404.77
LogP ≤ 5	60.29
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	24

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;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-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);bis(7-methyl-4-propan-2-ylnaphthalen-2-ol);8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinazolin-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;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-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);bis(7-methyl-4-propan-2-ylnaphthalen-2-ol);8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinazolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 159247929) is 3-ethyl-1-propan-2-ylisoquinoline;1-fluoro-4-propan-2-ylnaphthalen-2-ol;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-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);bis(7-methyl-4-propan-2-ylnaphthalen-2-ol);8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinazolin-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;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-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);bis(7-methyl-4-propan-2-ylnaphthalen-2-ol);8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinazolin-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;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-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);bis(7-methyl-4-propan-2-ylnaphthalen-2-ol);8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinazolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol is C=C1CCc2cc(O)cc(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)cc2ccccc12.CC(C)c1cc(O)cc2cncnc12.CC(C)c1cccc2ccnnc12.CC(C)c1ccnc2c1C=CC2.CC(C)c1cncc2c1C=CC2.CC(C)c1nccc2c1C=CC2.CCc1cc2ccccc2c(C(C)C)n1.COc1ccc2ccccc2c1C(C)C.Cc1ccc2c(C(C)C)cc(O)cc2c1.Cc1ccc2c(C(C)C)cc(O)cc2c1.Cc1ccc2c(c1C(C)C)C=CC2.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;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-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);bis(7-methyl-4-propan-2-ylnaphthalen-2-ol);8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinazolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol?

The InChIKey is KUXLUYGDCKDYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N.5C14H16O.C13H13FO.C13H19NO.C13H17NO.C13H18O.C13H14O.C13H16.C12H16N2O.C11H12N2O.C11H12N2.3C11H13N/c1-4-12-9-11-7-5-6-8-13(11)14(15-12)10(2)3;2*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)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;1-8(2)12-7-11(15)6-10-5-4-9(3)14-13(10)12;2*1-9(2)13-8-11(14)7-10-5-3-4-6-12(10)13;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-7(2)11-5-10(15)4-9-6-13-8(3)14-12(9)11;1-7(2)10-4-9(14)3-8-5-12-6-13-11(8)10;1-8(2)10-5-3-4-9-6-7-12-13-11(9)10;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;1-8(2)11-10-5-3-4-9(10)6-7-12-11/h5-10H,4H2,1-3H3;4*4-9,15H,1-3H3;4-10H,1-3H3;3-8,15H,1-2H3;6-7,9,15H,4-5,8H2,1-3H3;6-8,14-15H,3-5H2,1-2H3;7-9,14H,3-6H2,1-2H3;3-9,14H,1-2H3;4,6-9H,5H2,1-3H3;4-5,7,13-15H,3,6H2,1-2H3;3-7,14H,1-2H3;3-8H,1-2H3;3,5-8H,4H2,1-2H3;3-4,6-8H,5H2,1-2H3;3,5-8H,4H2,1-2H3.

What are the key properties of 3-ethyl-1-propan-2-ylisoquinoline;1-fluoro-4-propan-2-ylnaphthalen-2-ol;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-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);bis(7-methyl-4-propan-2-ylnaphthalen-2-ol);8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinazolin-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;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-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);bis(7-methyl-4-propan-2-ylnaphthalen-2-ol);8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinazolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 3404.77 g/mol, XLogP of 60.29, 20 rotatable bonds, 14 hydrogen bond donors, and 24 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;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-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);bis(7-methyl-4-propan-2-ylnaphthalen-2-ol);8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinazolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 159247929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).