4-[[4-(5,7-dimethyl-4-pyrimidin-5-ylquinolin-6-yl)phenyl]methyl]morpholine

C26H26N4O — CID 126593960

IUPAC4-[[4-(5,7-dimethyl-4-pyrimidin-5-ylquinolin-6-yl)phenyl]methyl]morpholine
SMILESCc1cc2nccc(-c3cncnc3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C26H26N4O/c1-18-13-24-26(23(7-8-29-24)22-14-27-17-28-15-22)19(2)25(18)21-5-3-20(4-6-21)16-30-9-11-31-12-10-30/h3-8,13-15,17H,9-12,16H2,1-2H3
InChIKeyIFLNWDKYQWGWAZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.81
Rot. Bonds4

About 4-[[4-(5,7-dimethyl-4-pyrimidin-5-ylquinolin-6-yl)phenyl]methyl]morpholine

4-[[4-(5,7-dimethyl-4-pyrimidin-5-ylquinolin-6-yl)phenyl]methyl]morpholine (PubChem CID 126593960) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-[[4-(5,7-dimethyl-4-pyrimidin-5-ylquinolin-6-yl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(5,7-dimethyl-4-pyrimidin-5-ylquinolin-6-yl)phenyl]methyl]morpholine
PubChem CID126593960
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name4-[[4-(5,7-dimethyl-4-pyrimidin-5-ylquinolin-6-yl)phenyl]methyl]morpholine
SMILESCc1cc2nccc(-c3cncnc3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C26H26N4O/c1-18-13-24-26(23(7-8-29-24)22-14-27-17-28-15-22)19(2)25(18)21-5-3-20(4-6-21)16-30-9-11-31-12-10-30/h3-8,13-15,17H,9-12,16H2,1-2H3
InChIKeyIFLNWDKYQWGWAZ-UHFFFAOYSA-N
XLogP4.81
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.81
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-pyrimidin-5-ylquinolin-6-yl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-(5,7-dimethyl-4-pyrimidin-5-ylquinolin-6-yl)phenyl]methyl]morpholine (CID 126593960) is 4-[[4-(5,7-dimethyl-4-pyrimidin-5-ylquinolin-6-yl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(5,7-dimethyl-4-pyrimidin-5-ylquinolin-6-yl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-(5,7-dimethyl-4-pyrimidin-5-ylquinolin-6-yl)phenyl]methyl]morpholine is Cc1cc2nccc(-c3cncnc3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-[[4-(5,7-dimethyl-4-pyrimidin-5-ylquinolin-6-yl)phenyl]methyl]morpholine?
The InChIKey is IFLNWDKYQWGWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-18-13-24-26(23(7-8-29-24)22-14-27-17-28-15-22)19(2)25(18)21-5-3-20(4-6-21)16-30-9-11-31-12-10-30/h3-8,13-15,17H,9-12,16H2,1-2H3.
What are the key properties of 4-[[4-(5,7-dimethyl-4-pyrimidin-5-ylquinolin-6-yl)phenyl]methyl]morpholine?
4-[[4-(5,7-dimethyl-4-pyrimidin-5-ylquinolin-6-yl)phenyl]methyl]morpholine has a molecular weight of 410.52 g/mol, XLogP of 4.81, 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-pyrimidin-5-ylquinolin-6-yl)phenyl]methyl]morpholine is sourced from PubChem (CID 126593960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).