4-(9-pyrrolidin-1-yl-1,10-phenanthrolin-2-yl)morpholine

C20H22N4O — CID 176548594

IUPAC4-(9-pyrrolidin-1-yl-1,10-phenanthrolin-2-yl)morpholine
SMILESc1cc2ccc3ccc(N4CCOCC4)nc3c2nc1N1CCCC1
InChIInChI=1S/C20H22N4O/c1-2-10-23(9-1)17-7-5-15-3-4-16-6-8-18(22-20(16)19(15)21-17)24-11-13-25-14-12-24/h3-8H,1-2,9-14H2
InChIKeyIHAMQJPXLCZXAQ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.22
Rot. Bonds2

About 4-(9-pyrrolidin-1-yl-1,10-phenanthrolin-2-yl)morpholine

4-(9-pyrrolidin-1-yl-1,10-phenanthrolin-2-yl)morpholine (PubChem CID 176548594) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(9-pyrrolidin-1-yl-1,10-phenanthrolin-2-yl)morpholine.

Molecular Properties

Compound Name4-(9-pyrrolidin-1-yl-1,10-phenanthrolin-2-yl)morpholine
PubChem CID176548594
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-(9-pyrrolidin-1-yl-1,10-phenanthrolin-2-yl)morpholine
SMILESc1cc2ccc3ccc(N4CCOCC4)nc3c2nc1N1CCCC1
InChIInChI=1S/C20H22N4O/c1-2-10-23(9-1)17-7-5-15-3-4-16-6-8-18(22-20(16)19(15)21-17)24-11-13-25-14-12-24/h3-8H,1-2,9-14H2
InChIKeyIHAMQJPXLCZXAQ-UHFFFAOYSA-N
XLogP3.22
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 67897493
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
2-piperidin-1-ylquinolin-8-amine
CID 105484956
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
4-(3-phenyl-7-piperidin-1-yl-1,8-naphthyridin-2-yl)morpholine
CID 11079290
4-(2-chloropyrimidin-4-yl)-1,4-oxazepane
CID 62968346
2-fluoro-6-morpholin-4-ylpyridin-3-amine
CID 118234472
4-(6-bromo-5-methyl-2-pyridinyl)morpholine
CID 131724211
4-[4-morpholin-4-yl-6-(6-piperidin-1-yl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine
CID 58508085
4-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)morpholine
CID 50806743
2-methyl-6-morpholin-4-ylpyridine-3-carbaldehyde
CID 102544177

Frequently Asked Questions

What is the IUPAC name of 4-(9-pyrrolidin-1-yl-1,10-phenanthrolin-2-yl)morpholine?
The IUPAC name of 4-(9-pyrrolidin-1-yl-1,10-phenanthrolin-2-yl)morpholine (CID 176548594) is 4-(9-pyrrolidin-1-yl-1,10-phenanthrolin-2-yl)morpholine.
What is the SMILES notation for 4-(9-pyrrolidin-1-yl-1,10-phenanthrolin-2-yl)morpholine?
The canonical SMILES for 4-(9-pyrrolidin-1-yl-1,10-phenanthrolin-2-yl)morpholine is c1cc2ccc3ccc(N4CCOCC4)nc3c2nc1N1CCCC1.
What is the InChIKey of 4-(9-pyrrolidin-1-yl-1,10-phenanthrolin-2-yl)morpholine?
The InChIKey is IHAMQJPXLCZXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-2-10-23(9-1)17-7-5-15-3-4-16-6-8-18(22-20(16)19(15)21-17)24-11-13-25-14-12-24/h3-8H,1-2,9-14H2.
What are the key properties of 4-(9-pyrrolidin-1-yl-1,10-phenanthrolin-2-yl)morpholine?
4-(9-pyrrolidin-1-yl-1,10-phenanthrolin-2-yl)morpholine has a molecular weight of 334.42 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-pyrrolidin-1-yl-1,10-phenanthrolin-2-yl)morpholine is sourced from PubChem (CID 176548594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).