1,2,3,5,6,7,8,9,10-nonadeuteriobenzo[f]quinoline

C13H9N — CID 15555077

IUPAC1,2,3,5,6,7,8,9,10-nonadeuteriobenzo[f]quinoline
SMILES[2H]c1nc2c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c3c2c([2H])c1[2H]
InChIInChI=1S/C13H9N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-9H/i1D,2D,3D,4D,5D,6D,7D,8D,9D
InChIKeyHCAUQPZEWLULFJ-LOIXRAQWSA-N
MW188.28 g/mol
LogP3.39
Rot. Bonds

About 1,2,3,5,6,7,8,9,10-nonadeuteriobenzo[f]quinoline

1,2,3,5,6,7,8,9,10-nonadeuteriobenzo[f]quinoline (PubChem CID 15555077) has the molecular formula C13H9N and a molecular weight of 188.28 g/mol. Its IUPAC name is 1,2,3,5,6,7,8,9,10-nonadeuteriobenzo[f]quinoline.

Molecular Properties

Compound Name1,2,3,5,6,7,8,9,10-nonadeuteriobenzo[f]quinoline
PubChem CID15555077
Molecular FormulaC13H9N
Molecular Weight188.28 g/mol
Exact Mass188.13
IUPAC Name1,2,3,5,6,7,8,9,10-nonadeuteriobenzo[f]quinoline
SMILES[2H]c1nc2c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c3c2c([2H])c1[2H]
InChIInChI=1S/C13H9N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-9H/i1D,2D,3D,4D,5D,6D,7D,8D,9D
InChIKeyHCAUQPZEWLULFJ-LOIXRAQWSA-N
XLogP3.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trideuterioquinoline
CID 20628621
2,3,4,5,6,7,8,10-octadeuterio-1,9-phenanthroline
CID 90478186
2,3,4,5,6,7,8-heptadeuterio-1,10-phenanthroline
CID 166509195
1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-ol
CID 71751562
trimethyl-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)oxysilane
CID 141327183
3,4,5,6,7,8-hexadeuterio-2-(3,4,5,6,7,8-hexadeuterioquinolin-2-yl)quinoline
CID 102271519
7,8,9-trideuterio-3-methylimidazo[4,5-f]quinolin-2-amine
CID 131699298
1,2,3,4,5,6,7,8-octadeuterio-9,10-bis(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracene
CID 156656903
1,2,4,5,7,8,10,11,13,14,15,22-dodecadeuteriohexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
CID 12073192
1,2,3,4,5,6-hexadeuterio-7,8-bis(trideuteriomethyl)naphthalene
CID 54237311
2-[4-[2,4-bis(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-5-(3,4,5,6,7,8-hexadeuterionaphthalen-1-yl)furan-3-yl]naphthalen-1-yl]-3,4,5,6,7,8,9-heptadeuterio-1,10-phenanthroline
CID 166508903
1,2,3,4,5,6,8,9,10-nonadeuterio-7-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]phenanthrene
CID 153474318

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7,8,9,10-nonadeuteriobenzo[f]quinoline?
The IUPAC name of 1,2,3,5,6,7,8,9,10-nonadeuteriobenzo[f]quinoline (CID 15555077) is 1,2,3,5,6,7,8,9,10-nonadeuteriobenzo[f]quinoline.
What is the SMILES notation for 1,2,3,5,6,7,8,9,10-nonadeuteriobenzo[f]quinoline?
The canonical SMILES for 1,2,3,5,6,7,8,9,10-nonadeuteriobenzo[f]quinoline is [2H]c1nc2c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c3c2c([2H])c1[2H].
What is the InChIKey of 1,2,3,5,6,7,8,9,10-nonadeuteriobenzo[f]quinoline?
The InChIKey is HCAUQPZEWLULFJ-LOIXRAQWSA-N. The full InChI is InChI=1S/C13H9N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-9H/i1D,2D,3D,4D,5D,6D,7D,8D,9D.
What are the key properties of 1,2,3,5,6,7,8,9,10-nonadeuteriobenzo[f]quinoline?
1,2,3,5,6,7,8,9,10-nonadeuteriobenzo[f]quinoline has a molecular weight of 188.28 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7,8,9,10-nonadeuteriobenzo[f]quinoline is sourced from PubChem (CID 15555077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).