4-(2-methylquinolin-6-yl)-1,10-phenanthroline

C22H15N3 — CID 145180172

IUPAC4-(2-methylquinolin-6-yl)-1,10-phenanthroline
SMILESCc1ccc2cc(-c3ccnc4c3ccc3cccnc34)ccc2n1
InChIInChI=1S/C22H15N3/c1-14-4-5-17-13-16(7-9-20(17)25-14)18-10-12-24-22-19(18)8-6-15-3-2-11-23-21(15)22/h2-13H,1H3
InChIKeyHKOXCVXLJXYAKR-UHFFFAOYSA-N
MW321.38 g/mol
LogP5.31
Rot. Bonds1

About 4-(2-methylquinolin-6-yl)-1,10-phenanthroline

4-(2-methylquinolin-6-yl)-1,10-phenanthroline (PubChem CID 145180172) has the molecular formula C22H15N3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(2-methylquinolin-6-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name4-(2-methylquinolin-6-yl)-1,10-phenanthroline
PubChem CID145180172
Molecular FormulaC22H15N3
Molecular Weight321.38 g/mol
Exact Mass321.13
IUPAC Name4-(2-methylquinolin-6-yl)-1,10-phenanthroline
SMILESCc1ccc2cc(-c3ccnc4c3ccc3cccnc34)ccc2n1
InChIInChI=1S/C22H15N3/c1-14-4-5-17-13-16(7-9-20(17)25-14)18-10-12-24-22-19(18)8-6-15-3-2-11-23-21(15)22/h2-13H,1H3
InChIKeyHKOXCVXLJXYAKR-UHFFFAOYSA-N
XLogP5.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(6-methylnaphthalen-2-yl)-1,10-phenanthroline
CID 145180186
2-methyl-6-(2-methyl-3-pyridinyl)quinoline
CID 90167611
4-[6-[4-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 137484448
2-methyl-6-naphthalen-1-ylquinoline
CID 58099181
4-[3-[4-naphthalen-2-yl-6-[3-(1,10-phenanthrolin-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 137484515
7-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline
CID 134559203
4-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 160688064
4-[4-[6-(2-pyren-1-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 129208858
2-methyl-6-(2-naphtho[1,2-b][1]benzofuran-10-yl-4-pyridinyl)quinoline
CID 176779185
4-[7-[2-[4-(1,10-phenanthrolin-4-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline
CID 165088310
4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline
CID 168853179
4-[4-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780832

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylquinolin-6-yl)-1,10-phenanthroline?
The IUPAC name of 4-(2-methylquinolin-6-yl)-1,10-phenanthroline (CID 145180172) is 4-(2-methylquinolin-6-yl)-1,10-phenanthroline.
What is the SMILES notation for 4-(2-methylquinolin-6-yl)-1,10-phenanthroline?
The canonical SMILES for 4-(2-methylquinolin-6-yl)-1,10-phenanthroline is Cc1ccc2cc(-c3ccnc4c3ccc3cccnc34)ccc2n1.
What is the InChIKey of 4-(2-methylquinolin-6-yl)-1,10-phenanthroline?
The InChIKey is HKOXCVXLJXYAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3/c1-14-4-5-17-13-16(7-9-20(17)25-14)18-10-12-24-22-19(18)8-6-15-3-2-11-23-21(15)22/h2-13H,1H3.
What are the key properties of 4-(2-methylquinolin-6-yl)-1,10-phenanthroline?
4-(2-methylquinolin-6-yl)-1,10-phenanthroline has a molecular weight of 321.38 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylquinolin-6-yl)-1,10-phenanthroline is sourced from PubChem (CID 145180172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).