chromium(3+);8-(1H-inden-1-id-2-ylmethyl)quinoline;dichloride

C19H14Cl2CrN — CID 87864460

IUPACchromium(3+);8-(1H-inden-1-id-2-ylmethyl)quinoline;dichloride
SMILES[Cl-].[Cl-].[Cr+3].c1ccc2[cH-]c(Cc3cccc4cccnc34)cc2c1
InChIInChI=1S/C19H14N.2ClH.Cr/c1-2-6-17-12-14(11-16(17)5-1)13-18-8-3-7-15-9-4-10-20-19(15)18;;;/h1-12H,13H2;2*1H;/q-1;;;+3/p-2
InChIKeyCXXAFLJUVZHIGV-UHFFFAOYSA-L
MW379.23 g/mol
LogP-1.30
Rot. Bonds2

About chromium(3+);8-(1H-inden-1-id-2-ylmethyl)quinoline;dichloride

chromium(3+);8-(1H-inden-1-id-2-ylmethyl)quinoline;dichloride (PubChem CID 87864460) has the molecular formula C19H14Cl2CrN and a molecular weight of 379.23 g/mol. Its IUPAC name is chromium(3+);8-(1H-inden-1-id-2-ylmethyl)quinoline;dichloride.

Molecular Properties

Compound Namechromium(3+);8-(1H-inden-1-id-2-ylmethyl)quinoline;dichloride
PubChem CID87864460
Molecular FormulaC19H14Cl2CrN
Molecular Weight379.23 g/mol
Exact Mass377.99
IUPAC Namechromium(3+);8-(1H-inden-1-id-2-ylmethyl)quinoline;dichloride
SMILES[Cl-].[Cl-].[Cr+3].c1ccc2[cH-]c(Cc3cccc4cccnc34)cc2c1
InChIInChI=1S/C19H14N.2ClH.Cr/c1-2-6-17-12-14(11-16(17)5-1)13-18-8-3-7-15-9-4-10-20-19(15)18;;;/h1-12H,13H2;2*1H;/q-1;;;+3/p-2
InChIKeyCXXAFLJUVZHIGV-UHFFFAOYSA-L
XLogP-1.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 5-1.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

quinolin-8-ylmethanamine;hydrochloride
CID 50988699
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
aluminum quinolin-8-ylmethanol
CID 23124809
bis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride
CID 174370815
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
quinolin-8-ylmethylphosphonic acid
CID 12629202
(2-ethylphenyl)-quinolin-8-ylmethanone
CID 115790630
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149
8-(2,3-dihydro-1H-imidazol-4-ylmethyl)quinoline
CID 142688979
N-(quinolin-8-ylmethyl)aniline
CID 28610045
3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one
CID 107017504
2-(quinolin-8-ylmethylamino)ethyl carbamate
CID 83209261

Frequently Asked Questions

What is the IUPAC name of chromium(3+);8-(1H-inden-1-id-2-ylmethyl)quinoline;dichloride?
The IUPAC name of chromium(3+);8-(1H-inden-1-id-2-ylmethyl)quinoline;dichloride (CID 87864460) is chromium(3+);8-(1H-inden-1-id-2-ylmethyl)quinoline;dichloride.
What is the SMILES notation for chromium(3+);8-(1H-inden-1-id-2-ylmethyl)quinoline;dichloride?
The canonical SMILES for chromium(3+);8-(1H-inden-1-id-2-ylmethyl)quinoline;dichloride is [Cl-].[Cl-].[Cr+3].c1ccc2[cH-]c(Cc3cccc4cccnc34)cc2c1.
What is the InChIKey of chromium(3+);8-(1H-inden-1-id-2-ylmethyl)quinoline;dichloride?
The InChIKey is CXXAFLJUVZHIGV-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H14N.2ClH.Cr/c1-2-6-17-12-14(11-16(17)5-1)13-18-8-3-7-15-9-4-10-20-19(15)18;;;/h1-12H,13H2;2*1H;/q-1;;;+3/p-2.
What are the key properties of chromium(3+);8-(1H-inden-1-id-2-ylmethyl)quinoline;dichloride?
chromium(3+);8-(1H-inden-1-id-2-ylmethyl)quinoline;dichloride has a molecular weight of 379.23 g/mol, XLogP of -1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);8-(1H-inden-1-id-2-ylmethyl)quinoline;dichloride is sourced from PubChem (CID 87864460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).