4-[[4-[5,7-dimethyl-4-(2-methylpyrazol-3-yl)quinolin-6-yl]phenyl]methyl]morpholine

C26H28N4O — CID 126593695

IUPAC4-[[4-[5,7-dimethyl-4-(2-methylpyrazol-3-yl)quinolin-6-yl]phenyl]methyl]morpholine
SMILESCc1cc2nccc(-c3ccnn3C)c2c(C)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C26H28N4O/c1-18-16-23-26(22(8-10-27-23)24-9-11-28-29(24)3)19(2)25(18)21-6-4-20(5-7-21)17-30-12-14-31-15-13-30/h4-11,16H,12-15,17H2,1-3H3
InChIKeyTZPCPZGAYFZEIR-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.75
Rot. Bonds4

About 4-[[4-[5,7-dimethyl-4-(2-methylpyrazol-3-yl)quinolin-6-yl]phenyl]methyl]morpholine

4-[[4-[5,7-dimethyl-4-(2-methylpyrazol-3-yl)quinolin-6-yl]phenyl]methyl]morpholine (PubChem CID 126593695) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 4-[[4-[5,7-dimethyl-4-(2-methylpyrazol-3-yl)quinolin-6-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[5,7-dimethyl-4-(2-methylpyrazol-3-yl)quinolin-6-yl]phenyl]methyl]morpholine
PubChem CID126593695
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name4-[[4-[5,7-dimethyl-4-(2-methylpyrazol-3-yl)quinolin-6-yl]phenyl]methyl]morpholine
SMILESCc1cc2nccc(-c3ccnn3C)c2c(C)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C26H28N4O/c1-18-16-23-26(22(8-10-27-23)24-9-11-28-29(24)3)19(2)25(18)21-6-4-20(5-7-21)17-30-12-14-31-15-13-30/h4-11,16H,12-15,17H2,1-3H3
InChIKeyTZPCPZGAYFZEIR-UHFFFAOYSA-N
XLogP4.75
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,6-difluoro-4-(3-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)quinoxalin-5-yl)benzyl)morpholine
CID 46398810
(R)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 16059780
2-Methyl-5-(4-{2-[3-(1H-pyrazol-1-yl)phenyl]ethyl}-1-piperazinyl)quinoline
CID 49850772
N-(2-Morpholin-4-ylethyl)benzo(g)quinolin-4-amine
CID 182791
N-(4-Morpholin-4-ylphenyl)benzo(g)quinolin-4-amine
CID 182792
4-[[2,6-Difluoro-4-[3-(1-piperidin-1-ium-4-ylpyrazol-4-yl)quinoxalin-5-yl]phenyl]methyl]morpholin-4-ium
CID 72200117
2-[2-[2-[3-methyl-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyrazol-1-yl]ethoxy]ethoxy]ethanamine
CID 155529825
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-methylphenyl)-4-pyridinyl]quinolin-4-amine
CID 164610927
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(2-methylphenyl)-4-pyridinyl]quinolin-4-amine
CID 164618451
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(2-fluorophenyl)-4-pyridinyl]quinolin-4-amine
CID 164621330
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-fluorophenyl)-4-pyridinyl]quinolin-4-amine
CID 164623515
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-phenyl-4-pyridinyl)quinolin-4-amine
CID 164628562

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[5,7-dimethyl-4-(2-methylpyrazol-3-yl)quinolin-6-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[5,7-dimethyl-4-(2-methylpyrazol-3-yl)quinolin-6-yl]phenyl]methyl]morpholine (CID 126593695) is 4-[[4-[5,7-dimethyl-4-(2-methylpyrazol-3-yl)quinolin-6-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[5,7-dimethyl-4-(2-methylpyrazol-3-yl)quinolin-6-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[5,7-dimethyl-4-(2-methylpyrazol-3-yl)quinolin-6-yl]phenyl]methyl]morpholine is Cc1cc2nccc(-c3ccnn3C)c2c(C)c1-c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-[[4-[5,7-dimethyl-4-(2-methylpyrazol-3-yl)quinolin-6-yl]phenyl]methyl]morpholine?
The InChIKey is TZPCPZGAYFZEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-18-16-23-26(22(8-10-27-23)24-9-11-28-29(24)3)19(2)25(18)21-6-4-20(5-7-21)17-30-12-14-31-15-13-30/h4-11,16H,12-15,17H2,1-3H3.
What are the key properties of 4-[[4-[5,7-dimethyl-4-(2-methylpyrazol-3-yl)quinolin-6-yl]phenyl]methyl]morpholine?
4-[[4-[5,7-dimethyl-4-(2-methylpyrazol-3-yl)quinolin-6-yl]phenyl]methyl]morpholine has a molecular weight of 412.54 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[5,7-dimethyl-4-(2-methylpyrazol-3-yl)quinolin-6-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 126593695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).