6-methyl-10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline

C19H16N4 — CID 11426561

IUPAC6-methyl-10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline
SMILESCc1ccc2c(n1)c1ncccc1c1nc3c(nc21)CCCC3
InChIInChI=1S/C19H16N4/c1-11-8-9-13-17(21-11)16-12(5-4-10-20-16)18-19(13)23-15-7-3-2-6-14(15)22-18/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyLBAPYINSOVTPEJ-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.91
Rot. Bonds

About 6-methyl-10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline

6-methyl-10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline (PubChem CID 11426561) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 6-methyl-10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Name6-methyl-10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline
PubChem CID11426561
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name6-methyl-10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline
SMILESCc1ccc2c(n1)c1ncccc1c1nc3c(nc21)CCCC3
InChIInChI=1S/C19H16N4/c1-11-8-9-13-17(21-11)16-12(5-4-10-20-16)18-19(13)23-15-7-3-2-6-14(15)22-18/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyLBAPYINSOVTPEJ-UHFFFAOYSA-N
XLogP3.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
3,5,6,7-tetramethylpyrazino[2,3-f][1,10]phenanthroline
CID 157282596
bis(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;hexakis(3,4,7,8-tetramethyl-1,10-phenanthroline)
CID 165088824
3,6-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 140706892
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline
CID 11425448
quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline
CID 118008961
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
4-methyl-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 159563538
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;tetrakis(2,3,4,5,6,7,8,9-octamethyl-1,10-phenanthroline);bis(ruthenium(2+))
CID 45256437
bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
CID 56973553
dichloroiron;2-methyl-1,10-phenanthroline
CID 175695507

Frequently Asked Questions

What is the IUPAC name of 6-methyl-10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?
The IUPAC name of 6-methyl-10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline (CID 11426561) is 6-methyl-10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline.
What is the SMILES notation for 6-methyl-10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?
The canonical SMILES for 6-methyl-10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline is Cc1ccc2c(n1)c1ncccc1c1nc3c(nc21)CCCC3.
What is the InChIKey of 6-methyl-10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?
The InChIKey is LBAPYINSOVTPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-11-8-9-13-17(21-11)16-12(5-4-10-20-16)18-19(13)23-15-7-3-2-6-14(15)22-18/h4-5,8-10H,2-3,6-7H2,1H3.
What are the key properties of 6-methyl-10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?
6-methyl-10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline has a molecular weight of 300.37 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 11426561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).