5-methoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;4-methoxy-2-propan-2-yl-1,6-naphthyridine;4-methoxy-2-propan-2-yl-1,7-naphthyridine;5-methoxy-7-propan-2-ylphthalazine;8-methoxy-6-propan-2-ylquinazoline;4-methoxy-2-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoline

C114H132N12O9 — CID 159245251

IUPAC5-methoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;4-methoxy-2-propan-2-yl-1,6-naphthyridine;4-methoxy-2-propan-2-yl-1,7-naphthyridine;5-methoxy-7-propan-2-ylphthalazine;8-methoxy-6-propan-2-ylquinazoline;4-methoxy-2-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoline
SMILESCOc1cc(C(C)C)cc2ccccc12.COc1cc(C(C)C)cc2ccncc12.COc1cc(C(C)C)cc2cnccc12.COc1cc(C(C)C)cc2cncnc12.COc1cc(C(C)C)cc2cnncc12.COc1cc(C(C)C)cc2ncccc12.COc1cc(C(C)C)nc2ccccc12.COc1cc(C(C)C)nc2ccncc12.COc1cc(C(C)C)nc2cnccc12
InChIInChI=1S/C14H16O.4C13H15NO.4C12H14N2O/c1-10(2)12-8-11-6-4-5-7-13(11)14(9-12)15-3;1-9(2)10-6-11-8-14-5-4-12(11)13(7-10)15-3;1-9(2)11-6-10-4-5-14-8-12(10)13(7-11)15-3;1-9(2)10-7-12-11(5-4-6-14-12)13(8-10)15-3;1-9(2)12-8-13(15-3)10-6-4-5-7-11(10)14-12;1-8(2)9-4-10-6-13-14-7-11(10)12(5-9)15-3;1-8(2)9-4-10-6-13-7-14-12(10)11(5-9)15-3;1-8(2)11-6-12(15-3)9-7-13-5-4-10(9)14-11;1-8(2)10-6-12(15-3)9-4-5-13-7-11(9)14-10/h4-10H,1-3H3;4*4-9H,1-3H3;4*4-8H,1-3H3
InChIKeyKUPFUEMKDNNOOF-UHFFFAOYSA-N
MW1814.38 g/mol
LogP28.49
Rot. Bonds18

About 5-methoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;4-methoxy-2-propan-2-yl-1,6-naphthyridine;4-methoxy-2-propan-2-yl-1,7-naphthyridine;5-methoxy-7-propan-2-ylphthalazine;8-methoxy-6-propan-2-ylquinazoline;4-methoxy-2-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoline

5-methoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;4-methoxy-2-propan-2-yl-1,6-naphthyridine;4-methoxy-2-propan-2-yl-1,7-naphthyridine;5-methoxy-7-propan-2-ylphthalazine;8-methoxy-6-propan-2-ylquinazoline;4-methoxy-2-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoline (PubChem CID 159245251) has the molecular formula C114H132N12O9 and a molecular weight of 1814.38 g/mol. Its IUPAC name is 5-methoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;4-methoxy-2-propan-2-yl-1,6-naphthyridine;4-methoxy-2-propan-2-yl-1,7-naphthyridine;5-methoxy-7-propan-2-ylphthalazine;8-methoxy-6-propan-2-ylquinazoline;4-methoxy-2-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoline.

Molecular Properties

Compound Name5-methoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;4-methoxy-2-propan-2-yl-1,6-naphthyridine;4-methoxy-2-propan-2-yl-1,7-naphthyridine;5-methoxy-7-propan-2-ylphthalazine;8-methoxy-6-propan-2-ylquinazoline;4-methoxy-2-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoline
PubChem CID159245251
Molecular FormulaC114H132N12O9
Molecular Weight1814.38 g/mol
Exact Mass1813.02
IUPAC Name5-methoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;4-methoxy-2-propan-2-yl-1,6-naphthyridine;4-methoxy-2-propan-2-yl-1,7-naphthyridine;5-methoxy-7-propan-2-ylphthalazine;8-methoxy-6-propan-2-ylquinazoline;4-methoxy-2-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoline
SMILESCOc1cc(C(C)C)cc2ccccc12.COc1cc(C(C)C)cc2ccncc12.COc1cc(C(C)C)cc2cnccc12.COc1cc(C(C)C)cc2cncnc12.COc1cc(C(C)C)cc2cnncc12.COc1cc(C(C)C)cc2ncccc12.COc1cc(C(C)C)nc2ccccc12.COc1cc(C(C)C)nc2ccncc12.COc1cc(C(C)C)nc2cnccc12
InChIInChI=1S/C14H16O.4C13H15NO.4C12H14N2O/c1-10(2)12-8-11-6-4-5-7-13(11)14(9-12)15-3;1-9(2)10-6-11-8-14-5-4-12(11)13(7-10)15-3;1-9(2)11-6-10-4-5-14-8-12(10)13(7-11)15-3;1-9(2)10-7-12-11(5-4-6-14-12)13(8-10)15-3;1-9(2)12-8-13(15-3)10-6-4-5-7-11(10)14-12;1-8(2)9-4-10-6-13-14-7-11(10)12(5-9)15-3;1-8(2)9-4-10-6-13-7-14-12(10)11(5-9)15-3;1-8(2)11-6-12(15-3)9-7-13-5-4-10(9)14-11;1-8(2)10-6-12(15-3)9-4-5-13-7-11(9)14-10/h4-10H,1-3H3;4*4-9H,1-3H3;4*4-8H,1-3H3
InChIKeyKUPFUEMKDNNOOF-UHFFFAOYSA-N
XLogP28.49
TPSA237.75 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001814.38
LogP ≤ 528.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 5-methoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;4-methoxy-2-propan-2-yl-1,6-naphthyridine;4-methoxy-2-propan-2-yl-1,7-naphthyridine;5-methoxy-7-propan-2-ylphthalazine;8-methoxy-6-propan-2-ylquinazoline;4-methoxy-2-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoline with MolForge

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Related Compounds

7-Methoxy-4-propan-2-ylquinazoline;8-methoxy-4-propan-2-ylquinazoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylquinazoline;1-propan-2-ylisoquinoline;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,2-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-yl-8-(trifluoromethyl)quinazoline
CID 157276114
2-Cyclopropyl-4-methoxy-6,7-dimethylquinazoline;2,4-dimethoxy-7-methylquinazoline;2-ethoxy-4-methoxy-7-methylquinazoline;2-imidazol-1-yl-4-methoxy-7-methylquinazoline;4-methoxy-2,6-dimethylquinazoline;4-methoxy-6,7-dimethyl-2-(trifluoromethyl)quinazoline;4-methoxy-6-methyl-2-phenylquinazoline;4-methoxy-7-methyl-2-pyrazol-1-ylquinazoline;4-methoxy-7-methyl-2-pyridin-4-ylquinazoline;4-(4-methoxy-7-methylquinazolin-2-yl)morpholine;4-methoxy-2-phenylquinazoline
CID 157284383
N-(1,4-dimethylnaphthalen-2-yl)-5-(trifluoromethyl)pyridin-2-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinolin-3-amine;N-pyridin-3-ylquinolin-3-amine;N-pyridin-4-ylquinolin-3-amine;N-[2-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[3-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine
CID 157465784
5,8-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]isoquinolin-6-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinolin-3-amine;N-pyridin-3-ylquinolin-3-amine;N-pyridin-4-ylquinolin-3-amine;N-[2-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[3-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine
CID 157875438
3-Pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-4-yl-2,4-dihydropyrido[2,3-e][1,3]oxazine;bis(3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine);3-pyrimidin-2-yl-2,4-dihydropyrido[2,3-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
CID 158310266
3-(3-Fluoro-4-methylphenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine
CID 158930906
Methane;7-methoxy-4-propan-2-ylquinoline;8-methoxy-4-propan-2-ylquinoline;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-methyl-4-propan-2-ylquinazoline;7-methyl-4-propan-2-ylquinoline;1-propan-2-ylnaphthalene;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,7-naphthyridine;4-propan-2-yl-1,8-naphthyridine;4-propan-2-ylquinoline;4-propan-2-yl-8-(trifluoromethyl)quinoline
CID 160610132
5,8-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]isoquinolin-6-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinoxalin-2-amine;N-pyridin-3-ylquinolin-3-amine;N-pyridin-4-ylquinolin-3-amine;N-[2-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[3-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine
CID 160750272
3-(3,4-Difluorophenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;bis(3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine);3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine
CID 160936724
6,9-Dimethyl-18-phenyl-3,5-diaza-9-azoniatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene;18-methoxy-6,9,15-trimethyl-3,5-diaza-9-azoniatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;6,9,15,18-tetramethyl-3,5-diaza-9-azoniatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;6,9,15-trimethyl-18-propan-2-yl-3,5-diaza-9-azoniatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;6,9,15-trimethyl-18-(trifluoromethyl)-3,5-diaza-9-azoniatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene
CID 161277484
6,9-Dimethyl-18-propan-2-yl-3,5-diaza-9-azoniatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene;6,9-dimethyl-18-(trifluoromethyl)-3,5-diaza-9-azoniatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene;18-methoxy-6,9-dimethyl-3,5-diaza-9-azoniatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8(13),9,11,15,17-nonaene;6,9,18-trimethyl-3,5-diaza-9-azoniatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;4,5,9-trimethyl-12-(2,4,6-trimethylphenyl)benzo[f][1,7]phenanthrolin-5-ium
CID 161344523
7-Methoxy-4-propan-2-ylquinoline;8-methoxy-4-propan-2-ylquinoline;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;1-propan-2-ylnaphthalene;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,7-naphthyridine;4-propan-2-yl-1,8-naphthyridine;4-propan-2-ylquinoline;4-propan-2-yl-8-(trifluoromethyl)quinoline
CID 161983026

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;4-methoxy-2-propan-2-yl-1,6-naphthyridine;4-methoxy-2-propan-2-yl-1,7-naphthyridine;5-methoxy-7-propan-2-ylphthalazine;8-methoxy-6-propan-2-ylquinazoline;4-methoxy-2-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoline?
The IUPAC name of 5-methoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;4-methoxy-2-propan-2-yl-1,6-naphthyridine;4-methoxy-2-propan-2-yl-1,7-naphthyridine;5-methoxy-7-propan-2-ylphthalazine;8-methoxy-6-propan-2-ylquinazoline;4-methoxy-2-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoline (CID 159245251) is 5-methoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;4-methoxy-2-propan-2-yl-1,6-naphthyridine;4-methoxy-2-propan-2-yl-1,7-naphthyridine;5-methoxy-7-propan-2-ylphthalazine;8-methoxy-6-propan-2-ylquinazoline;4-methoxy-2-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoline.
What is the SMILES notation for 5-methoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;4-methoxy-2-propan-2-yl-1,6-naphthyridine;4-methoxy-2-propan-2-yl-1,7-naphthyridine;5-methoxy-7-propan-2-ylphthalazine;8-methoxy-6-propan-2-ylquinazoline;4-methoxy-2-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoline?
The canonical SMILES for 5-methoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;4-methoxy-2-propan-2-yl-1,6-naphthyridine;4-methoxy-2-propan-2-yl-1,7-naphthyridine;5-methoxy-7-propan-2-ylphthalazine;8-methoxy-6-propan-2-ylquinazoline;4-methoxy-2-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoline is COc1cc(C(C)C)cc2ccccc12.COc1cc(C(C)C)cc2ccncc12.COc1cc(C(C)C)cc2cnccc12.COc1cc(C(C)C)cc2cncnc12.COc1cc(C(C)C)cc2cnncc12.COc1cc(C(C)C)cc2ncccc12.COc1cc(C(C)C)nc2ccccc12.COc1cc(C(C)C)nc2ccncc12.COc1cc(C(C)C)nc2cnccc12.
What is the InChIKey of 5-methoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;4-methoxy-2-propan-2-yl-1,6-naphthyridine;4-methoxy-2-propan-2-yl-1,7-naphthyridine;5-methoxy-7-propan-2-ylphthalazine;8-methoxy-6-propan-2-ylquinazoline;4-methoxy-2-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoline?
The InChIKey is KUPFUEMKDNNOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O.4C13H15NO.4C12H14N2O/c1-10(2)12-8-11-6-4-5-7-13(11)14(9-12)15-3;1-9(2)10-6-11-8-14-5-4-12(11)13(7-10)15-3;1-9(2)11-6-10-4-5-14-8-12(10)13(7-11)15-3;1-9(2)10-7-12-11(5-4-6-14-12)13(8-10)15-3;1-9(2)12-8-13(15-3)10-6-4-5-7-11(10)14-12;1-8(2)9-4-10-6-13-14-7-11(10)12(5-9)15-3;1-8(2)9-4-10-6-13-7-14-12(10)11(5-9)15-3;1-8(2)11-6-12(15-3)9-7-13-5-4-10(9)14-11;1-8(2)10-6-12(15-3)9-4-5-13-7-11(9)14-10/h4-10H,1-3H3;4*4-9H,1-3H3;4*4-8H,1-3H3.
What are the key properties of 5-methoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;4-methoxy-2-propan-2-yl-1,6-naphthyridine;4-methoxy-2-propan-2-yl-1,7-naphthyridine;5-methoxy-7-propan-2-ylphthalazine;8-methoxy-6-propan-2-ylquinazoline;4-methoxy-2-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoline?
5-methoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;4-methoxy-2-propan-2-yl-1,6-naphthyridine;4-methoxy-2-propan-2-yl-1,7-naphthyridine;5-methoxy-7-propan-2-ylphthalazine;8-methoxy-6-propan-2-ylquinazoline;4-methoxy-2-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoline has a molecular weight of 1814.38 g/mol, XLogP of 28.49, 18 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-propan-2-ylisoquinoline;8-methoxy-6-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;4-methoxy-2-propan-2-yl-1,6-naphthyridine;4-methoxy-2-propan-2-yl-1,7-naphthyridine;5-methoxy-7-propan-2-ylphthalazine;8-methoxy-6-propan-2-ylquinazoline;4-methoxy-2-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoline is sourced from PubChem (CID 159245251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).