chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-diethyl-1H-imidazo[1,5-a]quinolin-1-id-9-amine

C27H34AuClN3- — CID 172516529

IUPACchlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-diethyl-1H-imidazo[1,5-a]quinolin-1-id-9-amine
SMILESCCN(CC)c1cccc2c1N1[CH-]N(c3c(C(C)C)cccc3C(C)C)C=C1C=C2.Cl[Au]
InChIInChI=1S/C27H34N3.Au.ClH/c1-7-28(8-2)25-14-9-11-21-15-16-22-17-29(18-30(22)26(21)25)27-23(19(3)4)12-10-13-24(27)20(5)6;;/h9-20H,7-8H2,1-6H3;;1H/q-1;+1;/p-1
InChIKeyHJYFCTQEKHSBBQ-UHFFFAOYSA-M
MW633.01 g/mol
LogP7.78
Rot. Bonds6

About chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-diethyl-1H-imidazo[1,5-a]quinolin-1-id-9-amine

chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-diethyl-1H-imidazo[1,5-a]quinolin-1-id-9-amine (PubChem CID 172516529) has the molecular formula C27H34AuClN3- and a molecular weight of 633.01 g/mol. Its IUPAC name is chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-diethyl-1H-imidazo[1,5-a]quinolin-1-id-9-amine.

Molecular Properties

Compound Namechlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-diethyl-1H-imidazo[1,5-a]quinolin-1-id-9-amine
PubChem CID172516529
Molecular FormulaC27H34AuClN3-
Molecular Weight633.01 g/mol
Exact Mass632.21
IUPAC Namechlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-diethyl-1H-imidazo[1,5-a]quinolin-1-id-9-amine
SMILESCCN(CC)c1cccc2c1N1[CH-]N(c3c(C(C)C)cccc3C(C)C)C=C1C=C2.Cl[Au]
InChIInChI=1S/C27H34N3.Au.ClH/c1-7-28(8-2)25-14-9-11-21-15-16-22-17-29(18-30(22)26(21)25)27-23(19(3)4)12-10-13-24(27)20(5)6;;/h9-20H,7-8H2,1-6H3;;1H/q-1;+1;/p-1
InChIKeyHJYFCTQEKHSBBQ-UHFFFAOYSA-M
XLogP7.78
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.01
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

chlorogold;N,N-dimethyl-2-(2,4,6-trimethylphenyl)-1H-imidazo[1,5-a]quinolin-1-id-9-amine
CID 172516514
chlorogold;4-[2-[2,6-di(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-id-5-yl]morpholine
CID 172516519
chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-3-id-5-amine;phenylbenzene
CID 172516504
chloropalladium(1+);2-[2,6-di(propan-2-yl)phenyl]-5-(2,4,6-triethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide
CID 174057888
copper;2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-ide;chloride
CID 174057894
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;methanidyl(trimethyl)silane
CID 138962595
CID 71560960
CID 71560960
copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;phenylazanide
CID 177476772
1-N,1-N,8-N,8-N-tetraethylnaphthalene-1,8-diamine
CID 12673049
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1-iodopropane
CID 159145853
2,4,6-trichloro-1,3,5-tris[2,6-di(propan-2-yl)phenyl]-1,3,5,2,4,6-triazatriphosphinane-2,4,6-triium
CID 101370288
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-[[2-(N-methylanilino)phenyl]methylidene]ruthenium)
CID 158157559

Frequently Asked Questions

What is the IUPAC name of chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-diethyl-1H-imidazo[1,5-a]quinolin-1-id-9-amine?
The IUPAC name of chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-diethyl-1H-imidazo[1,5-a]quinolin-1-id-9-amine (CID 172516529) is chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-diethyl-1H-imidazo[1,5-a]quinolin-1-id-9-amine.
What is the SMILES notation for chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-diethyl-1H-imidazo[1,5-a]quinolin-1-id-9-amine?
The canonical SMILES for chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-diethyl-1H-imidazo[1,5-a]quinolin-1-id-9-amine is CCN(CC)c1cccc2c1N1[CH-]N(c3c(C(C)C)cccc3C(C)C)C=C1C=C2.Cl[Au].
What is the InChIKey of chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-diethyl-1H-imidazo[1,5-a]quinolin-1-id-9-amine?
The InChIKey is HJYFCTQEKHSBBQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H34N3.Au.ClH/c1-7-28(8-2)25-14-9-11-21-15-16-22-17-29(18-30(22)26(21)25)27-23(19(3)4)12-10-13-24(27)20(5)6;;/h9-20H,7-8H2,1-6H3;;1H/q-1;+1;/p-1.
What are the key properties of chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-diethyl-1H-imidazo[1,5-a]quinolin-1-id-9-amine?
chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-diethyl-1H-imidazo[1,5-a]quinolin-1-id-9-amine has a molecular weight of 633.01 g/mol, XLogP of 7.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-diethyl-1H-imidazo[1,5-a]quinolin-1-id-9-amine is sourced from PubChem (CID 172516529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).