quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile

C19H9N5 — CID 91283468

IUPACquinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile
SMILESN#Cc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
InChIInChI=1S/C19H9N5/c20-10-11-5-6-14-15(9-11)24-19-13-4-2-8-22-17(13)16-12(18(19)23-14)3-1-7-21-16/h1-9H
InChIKeyDKEVJGGAZSFGMR-UHFFFAOYSA-N
MW307.32 g/mol
LogP3.75
Rot. Bonds

About quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile

quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile (PubChem CID 91283468) has the molecular formula C19H9N5 and a molecular weight of 307.32 g/mol. Its IUPAC name is quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile.

Molecular Properties

Compound Namequinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile
PubChem CID91283468
Molecular FormulaC19H9N5
Molecular Weight307.32 g/mol
Exact Mass307.09
IUPAC Namequinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile
SMILESN#Cc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
InChIInChI=1S/C19H9N5/c20-10-11-5-6-14-15(9-11)24-19-13-4-2-8-22-17(13)16-12(18(19)23-14)3-1-7-21-16/h1-9H
InChIKeyDKEVJGGAZSFGMR-UHFFFAOYSA-N
XLogP3.75
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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
6-methylindolo[3,2-b]quinoxaline-3-carbonitrile
CID 23354049
bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
CID 56973553
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
bis(2-pyridin-2-ylpyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium
CID 76514831
5-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]benzo[b][1,10]phenanthroline-10-carbonitrile
CID 137472831
11-bromoquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium
CID 162460175
5H-pyrido[3,2-b]indole-7-carbonitrile
CID 91665984
2,3-dimethylquinoxaline-6-carbonitrile
CID 45099880
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzonitrile
CID 46865047
5-pyridin-2-yl-6,9,15,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2(7),3,5,8(13),9,11,14,16,18,20,22,24-tridecaene
CID 102037216
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

Frequently Asked Questions

What is the IUPAC name of quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile?
The IUPAC name of quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile (CID 91283468) is quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile.
What is the SMILES notation for quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile?
The canonical SMILES for quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile is N#Cc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.
What is the InChIKey of quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile?
The InChIKey is DKEVJGGAZSFGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9N5/c20-10-11-5-6-14-15(9-11)24-19-13-4-2-8-22-17(13)16-12(18(19)23-14)3-1-7-21-16/h1-9H.
What are the key properties of quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile?
quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile has a molecular weight of 307.32 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile is sourced from PubChem (CID 91283468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).