2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-yl-1,7-naphthyridine;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;3-methyl-4-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;2,3,6-trimethyl-4-propan-2-ylquinoline

C204H248F2N18O7 — CID 160546848

About 2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-yl-1,7-naphthyridine;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;3-methyl-4-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;2,3,6-trimethyl-4-propan-2-ylquinoline

2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-yl-1,7-naphthyridine;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;3-methyl-4-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;2,3,6-trimethyl-4-propan-2-ylquinoline (PubChem CID 160546848) has the molecular formula C204H248F2N18O7 and a molecular weight of 3102.34 g/mol. Its IUPAC name is 2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-yl-1,7-naphthyridine;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;3-methyl-4-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;2,3,6-trimethyl-4-propan-2-ylquinoline.

Molecular Properties

• Compound Name: 2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-yl-1,7-naphthyridine;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;3-methyl-4-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;2,3,6-trimethyl-4-propan-2-ylquinoline
• PubChem CID: 160546848
• Molecular Formula: C204H248F2N18O7
• Molecular Weight: 3102.34 g/mol
• Exact Mass: 3099.96
• IUPAC Name: 2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-yl-1,7-naphthyridine;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;3-methyl-4-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;2,3,6-trimethyl-4-propan-2-ylquinoline
• SMILES: CC(C)c1cccc2c1OC(F)(F)O2.CC(C)c1cccc2cnncc12.CC(C)c1cccc2ncncc12.CC(C)c1cccc2nonc12.CC(C)c1cccn2nccc12.CCc1nc2ccccc2c(C(C)C)c1C.CCc1nc2cnccc2c(C(C)C)c1C.COc1c(C)nc2ccccc2c1C(C)C.COc1ccc2c(c1C(C)C)CCCC2.Cc1c(C(C)C)c2ccccc2[nH]c1=O.Cc1c(C(C)C)c2ccccc2n(C)c1=O.Cc1cc(C)c(C(C)C)c2c1CCC2.Cc1ccc2cccnc2c1C(C)C.Cc1ccc2nc(C)c(C)c(C(C)C)c2c1.Cc1ccc2ncccc2c1C(C)C.Cc1nc2ccccc2c(C(C)C)c1C
• InChI: InChI=1S/2C15H19N.C14H18N2.2C14H17NO.C14H17N.C14H20O.C14H20.C13H15NO.2C13H15N.2C11H12N2.C10H10F2O2.C10H12N2.C9H10N2O/c1-9(2)15-11(4)12(5)16-14-7-6-10(3)8-13(14)15;1-5-13-11(4)15(10(2)3)12-8-6-7-9-14(12)16-13;1-5-12-10(4)14(9(2)3)11-6-7-15-8-13(11)16-12;1-9(2)13-11-7-5-6-8-12(11)15-10(3)14(13)16-4;1-9(2)13-10(3)14(16)15(4)12-8-6-5-7-11(12)13;1-9(2)14-10(3)11(4)15-13-8-6-5-7-12(13)14;1-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15-3;1-9(2)14-11(4)8-10(3)12-6-5-7-13(12)14;1-8(2)12-9(3)13(15)14-11-7-5-4-6-10(11)12;1-9(2)13-10(3)6-7-12-11(13)5-4-8-14-12;1-9(2)12-10(3)6-7-11-5-4-8-14-13(11)12;1-8(2)9-4-3-5-11-10(9)6-12-7-13-11;1-8(2)10-5-3-4-9-6-12-13-7-11(9)10;1-6(2)7-4-3-5-8-9(7)14-10(11,12)13-8;1-8(2)9-4-3-7-12-10(9)5-6-11-12;1-6(2)7-4-3-5-8-9(7)11-12-10-8/h6-9H,1-5H3;6-10H,5H2,1-4H3;6-9H,5H2,1-4H3;2*5-9H,1-4H3;5-9H,1-4H3;8-10H,4-7H2,1-3H3;8-9H,5-7H2,1-4H3;4-8H,1-3H3,(H,14,15);2*4-9H,1-3H3;2*3-8H,1-2H3;3-6H,1-2H3;3-8H,1-2H3;3-6H,1-2H3
• InChIKey: QXNUQSXDMPAWDE-UHFFFAOYSA-N
• XLogP: 54.10
• TPSA: 302.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3102.34
LogP ≤ 5	54.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-yl-1,7-naphthyridine;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;3-methyl-4-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;2,3,6-trimethyl-4-propan-2-ylquinoline?

The IUPAC name of 2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-yl-1,7-naphthyridine;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;3-methyl-4-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;2,3,6-trimethyl-4-propan-2-ylquinoline (CID 160546848) is 2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-yl-1,7-naphthyridine;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;3-methyl-4-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;2,3,6-trimethyl-4-propan-2-ylquinoline.

What is the SMILES notation for 2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-yl-1,7-naphthyridine;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;3-methyl-4-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;2,3,6-trimethyl-4-propan-2-ylquinoline?

The canonical SMILES for 2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-yl-1,7-naphthyridine;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;3-methyl-4-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;2,3,6-trimethyl-4-propan-2-ylquinoline is CC(C)c1cccc2c1OC(F)(F)O2.CC(C)c1cccc2cnncc12.CC(C)c1cccc2ncncc12.CC(C)c1cccc2nonc12.CC(C)c1cccn2nccc12.CCc1nc2ccccc2c(C(C)C)c1C.CCc1nc2cnccc2c(C(C)C)c1C.COc1c(C)nc2ccccc2c1C(C)C.COc1ccc2c(c1C(C)C)CCCC2.Cc1c(C(C)C)c2ccccc2[nH]c1=O.Cc1c(C(C)C)c2ccccc2n(C)c1=O.Cc1cc(C)c(C(C)C)c2c1CCC2.Cc1ccc2cccnc2c1C(C)C.Cc1ccc2nc(C)c(C)c(C(C)C)c2c1.Cc1ccc2ncccc2c1C(C)C.Cc1nc2ccccc2c(C(C)C)c1C.

What is the InChIKey of 2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-yl-1,7-naphthyridine;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;3-methyl-4-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;2,3,6-trimethyl-4-propan-2-ylquinoline?

The InChIKey is QXNUQSXDMPAWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H19N.C14H18N2.2C14H17NO.C14H17N.C14H20O.C14H20.C13H15NO.2C13H15N.2C11H12N2.C10H10F2O2.C10H12N2.C9H10N2O/c1-9(2)15-11(4)12(5)16-14-7-6-10(3)8-13(14)15;1-5-13-11(4)15(10(2)3)12-8-6-7-9-14(12)16-13;1-5-12-10(4)14(9(2)3)11-6-7-15-8-13(11)16-12;1-9(2)13-11-7-5-6-8-12(11)15-10(3)14(13)16-4;1-9(2)13-10(3)14(16)15(4)12-8-6-5-7-11(12)13;1-9(2)14-10(3)11(4)15-13-8-6-5-7-12(13)14;1-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15-3;1-9(2)14-11(4)8-10(3)12-6-5-7-13(12)14;1-8(2)12-9(3)13(15)14-11-7-5-4-6-10(11)12;1-9(2)13-10(3)6-7-12-11(13)5-4-8-14-12;1-9(2)12-10(3)6-7-11-5-4-8-14-13(11)12;1-8(2)9-4-3-5-11-10(9)6-12-7-13-11;1-8(2)10-5-3-4-9-6-12-13-7-11(9)10;1-6(2)7-4-3-5-8-9(7)14-10(11,12)13-8;1-8(2)9-4-3-7-12-10(9)5-6-11-12;1-6(2)7-4-3-5-8-9(7)11-12-10-8/h6-9H,1-5H3;6-10H,5H2,1-4H3;6-9H,5H2,1-4H3;2*5-9H,1-4H3;5-9H,1-4H3;8-10H,4-7H2,1-3H3;8-9H,5-7H2,1-4H3;4-8H,1-3H3,(H,14,15);2*4-9H,1-3H3;2*3-8H,1-2H3;3-6H,1-2H3;3-8H,1-2H3;3-6H,1-2H3.

What are the key properties of 2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-yl-1,7-naphthyridine;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;3-methyl-4-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;2,3,6-trimethyl-4-propan-2-ylquinoline?

2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-yl-1,7-naphthyridine;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;3-methyl-4-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;2,3,6-trimethyl-4-propan-2-ylquinoline has a molecular weight of 3102.34 g/mol, XLogP of 54.10, 20 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-yl-1,7-naphthyridine;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;3-methyl-4-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;2,3,6-trimethyl-4-propan-2-ylquinoline is sourced from PubChem (CID 160546848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).