4-[4-[8-[4-(1H-imidazol-2-yl)phenyl]-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-[4-methoxy-8-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine

C57H58N8O4 — CID 144929858

IUPAC4-[4-[8-[4-(1H-imidazol-2-yl)phenyl]-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-[4-methoxy-8-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine
SMILESCOc1c(-c2ccc(N3CC(C)OC(C)C3)cc2)cnc2c(-c3ccc(-c4ncc[nH]4)cc3)cccc12.COc1c(-c2ccc(N3CC(C)OC(C)C3)cc2)cnc2c(-c3cnn(C)c3)cccc12
InChIInChI=1S/C31H30N4O2.C26H28N4O2/c1-20-18-35(19-21(2)37-20)25-13-11-23(12-14-25)28-17-34-29-26(5-4-6-27(29)30(28)36-3)22-7-9-24(10-8-22)31-32-15-16-33-31;1-17-14-30(15-18(2)32-17)21-10-8-19(9-11-21)24-13-27-25-22(20-12-28-29(3)16-20)6-5-7-23(25)26(24)31-4/h4-17,20-21H,18-19H2,1-3H3,(H,32,33);5-13,16-18H,14-15H2,1-4H3
InChIKeyWHONFPSXEWEPHZ-UHFFFAOYSA-N
MW919.14 g/mol
LogP11.51
Rot. Bonds9

About 4-[4-[8-[4-(1H-imidazol-2-yl)phenyl]-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-[4-methoxy-8-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine

4-[4-[8-[4-(1H-imidazol-2-yl)phenyl]-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-[4-methoxy-8-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine (PubChem CID 144929858) has the molecular formula C57H58N8O4 and a molecular weight of 919.14 g/mol. Its IUPAC name is 4-[4-[8-[4-(1H-imidazol-2-yl)phenyl]-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-[4-methoxy-8-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[4-[8-[4-(1H-imidazol-2-yl)phenyl]-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-[4-methoxy-8-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine
PubChem CID144929858
Molecular FormulaC57H58N8O4
Molecular Weight919.14 g/mol
Exact Mass918.46
IUPAC Name4-[4-[8-[4-(1H-imidazol-2-yl)phenyl]-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-[4-methoxy-8-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine
SMILESCOc1c(-c2ccc(N3CC(C)OC(C)C3)cc2)cnc2c(-c3ccc(-c4ncc[nH]4)cc3)cccc12.COc1c(-c2ccc(N3CC(C)OC(C)C3)cc2)cnc2c(-c3cnn(C)c3)cccc12
InChIInChI=1S/C31H30N4O2.C26H28N4O2/c1-20-18-35(19-21(2)37-20)25-13-11-23(12-14-25)28-17-34-29-26(5-4-6-27(29)30(28)36-3)22-7-9-24(10-8-22)31-32-15-16-33-31;1-17-14-30(15-18(2)32-17)21-10-8-19(9-11-21)24-13-27-25-22(20-12-28-29(3)16-20)6-5-7-23(25)26(24)31-4/h4-17,20-21H,18-19H2,1-3H3,(H,32,33);5-13,16-18H,14-15H2,1-4H3
InChIKeyWHONFPSXEWEPHZ-UHFFFAOYSA-N
XLogP11.51
TPSA115.68 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500919.14
LogP ≤ 511.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-[4-[8-[4-(1H-imidazol-2-yl)phenyl]-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-[4-methoxy-8-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine with MolForge

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Related Compounds

N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]isoquinolin-3-amine
CID 73388611
N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(oxan-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-amine
CID 89995654
N8-cyclohexyl-N2-(2-methoxy-4-(1-(2-(4-methylpiperazin-1-yl)ethyl)-1H-pyrazol-4-yl)phenyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 89996159
N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(2-methylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 90000620
N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(4-methoxypiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 90000716
US10071079, Example 565
CID 135376047
US11407757, Cpd 97
CID 152455794
1-[(1S)-1-(3-methoxyphenyl)ethyl]-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazolo[4,5-c]quinoline
CID 155520045
1-[(1R)-1-(3-methoxyphenyl)ethyl]-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazolo[4,5-c]quinoline
CID 155559478
2-[3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]imidazo[4,5-b]pyridin-3-yl]-5-fluorophenoxy]-N,N-dimethylethanamine
CID 118948727
4-(4-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136936760
4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136936779

Frequently Asked Questions

What is the IUPAC name of 4-[4-[8-[4-(1H-imidazol-2-yl)phenyl]-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-[4-methoxy-8-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[4-[8-[4-(1H-imidazol-2-yl)phenyl]-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-[4-methoxy-8-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine (CID 144929858) is 4-[4-[8-[4-(1H-imidazol-2-yl)phenyl]-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-[4-methoxy-8-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[4-[8-[4-(1H-imidazol-2-yl)phenyl]-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-[4-methoxy-8-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[4-[8-[4-(1H-imidazol-2-yl)phenyl]-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-[4-methoxy-8-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine is COc1c(-c2ccc(N3CC(C)OC(C)C3)cc2)cnc2c(-c3ccc(-c4ncc[nH]4)cc3)cccc12.COc1c(-c2ccc(N3CC(C)OC(C)C3)cc2)cnc2c(-c3cnn(C)c3)cccc12.
What is the InChIKey of 4-[4-[8-[4-(1H-imidazol-2-yl)phenyl]-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-[4-methoxy-8-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine?
The InChIKey is WHONFPSXEWEPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O2.C26H28N4O2/c1-20-18-35(19-21(2)37-20)25-13-11-23(12-14-25)28-17-34-29-26(5-4-6-27(29)30(28)36-3)22-7-9-24(10-8-22)31-32-15-16-33-31;1-17-14-30(15-18(2)32-17)21-10-8-19(9-11-21)24-13-27-25-22(20-12-28-29(3)16-20)6-5-7-23(25)26(24)31-4/h4-17,20-21H,18-19H2,1-3H3,(H,32,33);5-13,16-18H,14-15H2,1-4H3.
What are the key properties of 4-[4-[8-[4-(1H-imidazol-2-yl)phenyl]-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-[4-methoxy-8-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine?
4-[4-[8-[4-(1H-imidazol-2-yl)phenyl]-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-[4-methoxy-8-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine has a molecular weight of 919.14 g/mol, XLogP of 11.51, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[8-[4-(1H-imidazol-2-yl)phenyl]-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-[4-methoxy-8-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 144929858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).