1,2,3,4-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline

C18H14N4 — CID 68764473

IUPAC1,2,3,4-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline
SMILESc1ccc2nc3c(nc2c1)c1c(c2ncccc23)NCCC1
InChIInChI=1S/C18H14N4/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16/h1-3,5,7-9,20H,4,6,10H2
InChIKeyKPHSYZNUNDAANI-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.69
Rot. Bonds

About 1,2,3,4-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline

1,2,3,4-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline (PubChem CID 68764473) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Name1,2,3,4-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline
PubChem CID68764473
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name1,2,3,4-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline
SMILESc1ccc2nc3c(nc2c1)c1c(c2ncccc23)NCCC1
InChIInChI=1S/C18H14N4/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16/h1-3,5,7-9,20H,4,6,10H2
InChIKeyKPHSYZNUNDAANI-UHFFFAOYSA-N
XLogP3.69
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline
CID 118008961
bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
CID 56973553
bis(2-pyridin-2-ylpyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium
CID 76514831
ethane;6,9,15,17,22-pentazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),3,5,8(13),9,11,14,16(21),17,19-undecaene
CID 145351041
5-(4-benzylpiperazin-1-yl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine
CID 10428496
platinum(2+);6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;chloride
CID 71543302
azanide;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;ruthenium
CID 164779457
quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile
CID 91283468
3-methyl-3,8,14,21-tetrazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),2(6),4,7(12),8,10,13,15,17,19-decaene
CID 140949440
quinoline;1,2,3,4-tetrahydrochrysene
CID 174331390
7-(10-benzo[b][1,10]phenanthrolin-7-ylanthracen-9-yl)benzo[b][1,10]phenanthroline
CID 134559539
4,10,13,19,23,29,32,38-octazanonacyclo[20.16.0.03,20.05,18.06,11.012,17.024,37.025,30.031,36]octatriaconta-1(22),2,4,6(11),7,9,12(17),13,15,18,20,23,25(30),26,28,31(36),32,34,37-nonadecaene;tetrakis(1,10-phenanthroline);bis(ruthenium(2+));tetrachloride
CID 71762373

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?
The IUPAC name of 1,2,3,4-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline (CID 68764473) is 1,2,3,4-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline.
What is the SMILES notation for 1,2,3,4-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?
The canonical SMILES for 1,2,3,4-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline is c1ccc2nc3c(nc2c1)c1c(c2ncccc23)NCCC1.
What is the InChIKey of 1,2,3,4-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?
The InChIKey is KPHSYZNUNDAANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16/h1-3,5,7-9,20H,4,6,10H2.
What are the key properties of 1,2,3,4-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?
1,2,3,4-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline has a molecular weight of 286.34 g/mol, XLogP of 3.69, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 68764473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).