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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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).