1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;4-(4,6-dimethyl-2-pyridinyl)morpholine;ethylbenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;1-(2-methoxyethyl)-4-methylpiperidine;9-methylacridine;3-methyl-2H-indazole;4-methyl-1H-indole;9-methylphenanthrene;4-(4-methyl-6-phenyl-2-pyridinyl)morpholine;4-(4-methyl-2-pyridinyl)morpholine

C138H170N12O8 — CID 158731123

IUPAC1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;4-(4,6-dimethyl-2-pyridinyl)morpholine;ethylbenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;1-(2-methoxyethyl)-4-methylpiperidine;9-methylacridine;3-methyl-2H-indazole;4-methyl-1H-indole;9-methylphenanthrene;4-(4-methyl-6-phenyl-2-pyridinyl)morpholine;4-(4-methyl-2-pyridinyl)morpholine
SMILESC/C=C/c1ccc(OCCCC)cc1.CCCCOc1ccc(CCC)cc1.CCc1ccccc1.COCCN1CCC(C)CC1.COCCOc1ccc2[nH]cc(C)c2c1.Cc1[nH]nc2ccccc12.Cc1c2ccccc2nc2ccccc12.Cc1cc(-c2ccccc2)nc(N2CCOCC2)c1.Cc1cc(C)nc(N2CCOCC2)c1.Cc1cc2ccccc2c2ccccc12.Cc1cccc2[nH]ccc12.Cc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C16H18N2O.C15H12.C14H11N.C13H20O.C13H18O.C12H15NO2.C11H16N2O.C10H14N2O.C9H19NO.C9H9N.C8H8N2.C8H10/c1-13-11-15(14-5-3-2-4-6-14)17-16(12-13)18-7-9-19-10-8-18;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14;2*1-3-5-11-14-13-9-7-12(6-4-2)8-10-13;1-9-8-13-12-4-3-10(7-11(9)12)15-6-5-14-2;1-9-7-10(2)12-11(8-9)13-3-5-14-6-4-13;1-9-2-3-11-10(8-9)12-4-6-13-7-5-12;1-9-3-5-10(6-4-9)7-8-11-2;1-7-3-2-4-9-8(7)5-6-10-9;1-6-7-4-2-3-5-8(7)10-9-6;1-2-8-6-4-3-5-7-8/h2-6,11-12H,7-10H2,1H3;2-10H,1H3;2-9H,1H3;7-10H,3-6,11H2,1-2H3;4,6-10H,3,5,11H2,1-2H3;3-4,7-8,13H,5-6H2,1-2H3;7-8H,3-6H2,1-2H3;2-3,8H,4-7H2,1H3;9H,3-8H2,1-2H3;2-6,10H,1H3;2-5H,1H3,(H,9,10);3-7H,2H2,1H3/b;;;;6-4+;;;;;;;
InChIKeyILCOBQZVSAHHRX-JKDBOKRXSA-N
MW2124.95 g/mol
LogP31.83
Rot. Bonds23

About 1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;4-(4,6-dimethyl-2-pyridinyl)morpholine;ethylbenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;1-(2-methoxyethyl)-4-methylpiperidine;9-methylacridine;3-methyl-2H-indazole;4-methyl-1H-indole;9-methylphenanthrene;4-(4-methyl-6-phenyl-2-pyridinyl)morpholine;4-(4-methyl-2-pyridinyl)morpholine

1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;4-(4,6-dimethyl-2-pyridinyl)morpholine;ethylbenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;1-(2-methoxyethyl)-4-methylpiperidine;9-methylacridine;3-methyl-2H-indazole;4-methyl-1H-indole;9-methylphenanthrene;4-(4-methyl-6-phenyl-2-pyridinyl)morpholine;4-(4-methyl-2-pyridinyl)morpholine (PubChem CID 158731123) has the molecular formula C138H170N12O8 and a molecular weight of 2124.95 g/mol. Its IUPAC name is 1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;4-(4,6-dimethyl-2-pyridinyl)morpholine;ethylbenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;1-(2-methoxyethyl)-4-methylpiperidine;9-methylacridine;3-methyl-2H-indazole;4-methyl-1H-indole;9-methylphenanthrene;4-(4-methyl-6-phenyl-2-pyridinyl)morpholine;4-(4-methyl-2-pyridinyl)morpholine.

Molecular Properties

Compound Name1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;4-(4,6-dimethyl-2-pyridinyl)morpholine;ethylbenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;1-(2-methoxyethyl)-4-methylpiperidine;9-methylacridine;3-methyl-2H-indazole;4-methyl-1H-indole;9-methylphenanthrene;4-(4-methyl-6-phenyl-2-pyridinyl)morpholine;4-(4-methyl-2-pyridinyl)morpholine
PubChem CID158731123
Molecular FormulaC138H170N12O8
Molecular Weight2124.95 g/mol
Exact Mass2123.33
IUPAC Name1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;4-(4,6-dimethyl-2-pyridinyl)morpholine;ethylbenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;1-(2-methoxyethyl)-4-methylpiperidine;9-methylacridine;3-methyl-2H-indazole;4-methyl-1H-indole;9-methylphenanthrene;4-(4-methyl-6-phenyl-2-pyridinyl)morpholine;4-(4-methyl-2-pyridinyl)morpholine
SMILESC/C=C/c1ccc(OCCCC)cc1.CCCCOc1ccc(CCC)cc1.CCc1ccccc1.COCCN1CCC(C)CC1.COCCOc1ccc2[nH]cc(C)c2c1.Cc1[nH]nc2ccccc12.Cc1c2ccccc2nc2ccccc12.Cc1cc(-c2ccccc2)nc(N2CCOCC2)c1.Cc1cc(C)nc(N2CCOCC2)c1.Cc1cc2ccccc2c2ccccc12.Cc1cccc2[nH]ccc12.Cc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C16H18N2O.C15H12.C14H11N.C13H20O.C13H18O.C12H15NO2.C11H16N2O.C10H14N2O.C9H19NO.C9H9N.C8H8N2.C8H10/c1-13-11-15(14-5-3-2-4-6-14)17-16(12-13)18-7-9-19-10-8-18;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14;2*1-3-5-11-14-13-9-7-12(6-4-2)8-10-13;1-9-8-13-12-4-3-10(7-11(9)12)15-6-5-14-2;1-9-7-10(2)12-11(8-9)13-3-5-14-6-4-13;1-9-2-3-11-10(8-9)12-4-6-13-7-5-12;1-9-3-5-10(6-4-9)7-8-11-2;1-7-3-2-4-9-8(7)5-6-10-9;1-6-7-4-2-3-5-8(7)10-9-6;1-2-8-6-4-3-5-7-8/h2-6,11-12H,7-10H2,1H3;2-10H,1H3;2-9H,1H3;7-10H,3-6,11H2,1-2H3;4,6-10H,3,5,11H2,1-2H3;3-4,7-8,13H,5-6H2,1-2H3;7-8H,3-6H2,1-2H3;2-3,8H,4-7H2,1H3;9H,3-8H2,1-2H3;2-6,10H,1H3;2-5H,1H3,(H,9,10);3-7H,2H2,1H3/b;;;;6-4+;;;;;;;
InChIKeyILCOBQZVSAHHRX-JKDBOKRXSA-N
XLogP31.83
TPSA198.62 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002124.95
LogP ≤ 531.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;4-(4,6-dimethyl-2-pyridinyl)morpholine;ethylbenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;1-(2-methoxyethyl)-4-methylpiperidine;9-methylacridine;3-methyl-2H-indazole;4-methyl-1H-indole;9-methylphenanthrene;4-(4-methyl-6-phenyl-2-pyridinyl)morpholine;4-(4-methyl-2-pyridinyl)morpholine with MolForge

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Related Compounds

1-[4-[[2-(2H-indazol-5-ylamino)-4-pyridinyl]oxy]naphthalen-1-yl]-3-[1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]urea
CID 137045421
1-[4-[2-[(7-methyl-2H-indazol-5-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]urea
CID 137045425
1-[3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl]-3-[4-[[2-[(7-methyl-2H-indazol-5-yl)amino]-4-pyridinyl]oxy]naphthalen-1-yl]urea
CID 137045430
1-[4-[2-[(7-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]urea
CID 73295661
1-[4-[[2-(1H-indazol-5-ylamino)-4-pyridinyl]oxy]naphthalen-1-yl]-3-[1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-propan-2-ylpyrazol-5-yl]urea
CID 118243864
1-[3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl]-3-[4-[[2-[(7-methyl-1H-indazol-5-yl)amino]-4-pyridinyl]oxy]naphthalen-1-yl]urea
CID 118243869
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-6-methyl-5-(3-methyl-5-phenylmethoxyphenyl)-1H-indazole
CID 137033018
2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3-difluoro-5-(trifluoromethyl)pyridine;hydrochloride
CID 157317367
cumene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;[(3S)-2-methylpentan-3-yl]benzene;(2-methyl-1-phenylpropyl)benzene;1-methyl-3-propan-2-ylindazole;4-methyl-3-(3-propan-2-ylphenyl)-1,2,4-triazole;5-methyl-3-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-ylpyridine;1-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1-phenoxy-2-propan-2-ylbenzene;1-propan-2-ylisoquinoline;3-(3-propan-2-ylphenoxy)oxetane;3-propan-2-yl-5-propan-2-yloxypyridine
CID 161979779
2-[[4-(2-methyl-6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenoxy]methyl]quinoline;2-[[4-(4-pyridazin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline
CID 69225440
2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-N-[[4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-morpholin-4-ylquinazolin-7-yl]-2-pyridinyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinazolin-4-amine
CID 90924400
1-[3-Tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-piperidin-1-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 90932971

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;4-(4,6-dimethyl-2-pyridinyl)morpholine;ethylbenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;1-(2-methoxyethyl)-4-methylpiperidine;9-methylacridine;3-methyl-2H-indazole;4-methyl-1H-indole;9-methylphenanthrene;4-(4-methyl-6-phenyl-2-pyridinyl)morpholine;4-(4-methyl-2-pyridinyl)morpholine?
The IUPAC name of 1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;4-(4,6-dimethyl-2-pyridinyl)morpholine;ethylbenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;1-(2-methoxyethyl)-4-methylpiperidine;9-methylacridine;3-methyl-2H-indazole;4-methyl-1H-indole;9-methylphenanthrene;4-(4-methyl-6-phenyl-2-pyridinyl)morpholine;4-(4-methyl-2-pyridinyl)morpholine (CID 158731123) is 1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;4-(4,6-dimethyl-2-pyridinyl)morpholine;ethylbenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;1-(2-methoxyethyl)-4-methylpiperidine;9-methylacridine;3-methyl-2H-indazole;4-methyl-1H-indole;9-methylphenanthrene;4-(4-methyl-6-phenyl-2-pyridinyl)morpholine;4-(4-methyl-2-pyridinyl)morpholine.
What is the SMILES notation for 1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;4-(4,6-dimethyl-2-pyridinyl)morpholine;ethylbenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;1-(2-methoxyethyl)-4-methylpiperidine;9-methylacridine;3-methyl-2H-indazole;4-methyl-1H-indole;9-methylphenanthrene;4-(4-methyl-6-phenyl-2-pyridinyl)morpholine;4-(4-methyl-2-pyridinyl)morpholine?
The canonical SMILES for 1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;4-(4,6-dimethyl-2-pyridinyl)morpholine;ethylbenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;1-(2-methoxyethyl)-4-methylpiperidine;9-methylacridine;3-methyl-2H-indazole;4-methyl-1H-indole;9-methylphenanthrene;4-(4-methyl-6-phenyl-2-pyridinyl)morpholine;4-(4-methyl-2-pyridinyl)morpholine is C/C=C/c1ccc(OCCCC)cc1.CCCCOc1ccc(CCC)cc1.CCc1ccccc1.COCCN1CCC(C)CC1.COCCOc1ccc2[nH]cc(C)c2c1.Cc1[nH]nc2ccccc12.Cc1c2ccccc2nc2ccccc12.Cc1cc(-c2ccccc2)nc(N2CCOCC2)c1.Cc1cc(C)nc(N2CCOCC2)c1.Cc1cc2ccccc2c2ccccc12.Cc1cccc2[nH]ccc12.Cc1ccnc(N2CCOCC2)c1.
What is the InChIKey of 1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;4-(4,6-dimethyl-2-pyridinyl)morpholine;ethylbenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;1-(2-methoxyethyl)-4-methylpiperidine;9-methylacridine;3-methyl-2H-indazole;4-methyl-1H-indole;9-methylphenanthrene;4-(4-methyl-6-phenyl-2-pyridinyl)morpholine;4-(4-methyl-2-pyridinyl)morpholine?
The InChIKey is ILCOBQZVSAHHRX-JKDBOKRXSA-N. The full InChI is InChI=1S/C16H18N2O.C15H12.C14H11N.C13H20O.C13H18O.C12H15NO2.C11H16N2O.C10H14N2O.C9H19NO.C9H9N.C8H8N2.C8H10/c1-13-11-15(14-5-3-2-4-6-14)17-16(12-13)18-7-9-19-10-8-18;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14;2*1-3-5-11-14-13-9-7-12(6-4-2)8-10-13;1-9-8-13-12-4-3-10(7-11(9)12)15-6-5-14-2;1-9-7-10(2)12-11(8-9)13-3-5-14-6-4-13;1-9-2-3-11-10(8-9)12-4-6-13-7-5-12;1-9-3-5-10(6-4-9)7-8-11-2;1-7-3-2-4-9-8(7)5-6-10-9;1-6-7-4-2-3-5-8(7)10-9-6;1-2-8-6-4-3-5-7-8/h2-6,11-12H,7-10H2,1H3;2-10H,1H3;2-9H,1H3;7-10H,3-6,11H2,1-2H3;4,6-10H,3,5,11H2,1-2H3;3-4,7-8,13H,5-6H2,1-2H3;7-8H,3-6H2,1-2H3;2-3,8H,4-7H2,1H3;9H,3-8H2,1-2H3;2-6,10H,1H3;2-5H,1H3,(H,9,10);3-7H,2H2,1H3/b;;;;6-4+;;;;;;;.
What are the key properties of 1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;4-(4,6-dimethyl-2-pyridinyl)morpholine;ethylbenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;1-(2-methoxyethyl)-4-methylpiperidine;9-methylacridine;3-methyl-2H-indazole;4-methyl-1H-indole;9-methylphenanthrene;4-(4-methyl-6-phenyl-2-pyridinyl)morpholine;4-(4-methyl-2-pyridinyl)morpholine?
1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;4-(4,6-dimethyl-2-pyridinyl)morpholine;ethylbenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;1-(2-methoxyethyl)-4-methylpiperidine;9-methylacridine;3-methyl-2H-indazole;4-methyl-1H-indole;9-methylphenanthrene;4-(4-methyl-6-phenyl-2-pyridinyl)morpholine;4-(4-methyl-2-pyridinyl)morpholine has a molecular weight of 2124.95 g/mol, XLogP of 31.83, 23 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;4-(4,6-dimethyl-2-pyridinyl)morpholine;ethylbenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;1-(2-methoxyethyl)-4-methylpiperidine;9-methylacridine;3-methyl-2H-indazole;4-methyl-1H-indole;9-methylphenanthrene;4-(4-methyl-6-phenyl-2-pyridinyl)morpholine;4-(4-methyl-2-pyridinyl)morpholine is sourced from PubChem (CID 158731123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).