5-methyl-6-(2-methyl-4-propan-2-ylnaphthalen-1-yl)-[1]benzofuro[3,2-c]quinolin-5-ium

C30H26NO+ — CID 167354763

IUPAC5-methyl-6-(2-methyl-4-propan-2-ylnaphthalen-1-yl)-[1]benzofuro[3,2-c]quinolin-5-ium
SMILESCc1cc(C(C)C)c2ccccc2c1-c1c2c3ccccc3oc2c2ccccc2[n+]1C
InChIInChI=1S/C30H26NO/c1-18(2)24-17-19(3)27(21-12-6-5-11-20(21)24)29-28-23-14-8-10-16-26(23)32-30(28)22-13-7-9-15-25(22)31(29)4/h5-18H,1-4H3/q+1
InChIKeyRGPLEXYCRLATLY-UHFFFAOYSA-N
MW416.54 g/mol
LogP7.82
Rot. Bonds2

About 5-methyl-6-(2-methyl-4-propan-2-ylnaphthalen-1-yl)-[1]benzofuro[3,2-c]quinolin-5-ium

5-methyl-6-(2-methyl-4-propan-2-ylnaphthalen-1-yl)-[1]benzofuro[3,2-c]quinolin-5-ium (PubChem CID 167354763) has the molecular formula C30H26NO+ and a molecular weight of 416.54 g/mol. Its IUPAC name is 5-methyl-6-(2-methyl-4-propan-2-ylnaphthalen-1-yl)-[1]benzofuro[3,2-c]quinolin-5-ium.

Molecular Properties

Compound Name5-methyl-6-(2-methyl-4-propan-2-ylnaphthalen-1-yl)-[1]benzofuro[3,2-c]quinolin-5-ium
PubChem CID167354763
Molecular FormulaC30H26NO+
Molecular Weight416.54 g/mol
Exact Mass416.20
IUPAC Name5-methyl-6-(2-methyl-4-propan-2-ylnaphthalen-1-yl)-[1]benzofuro[3,2-c]quinolin-5-ium
SMILESCc1cc(C(C)C)c2ccccc2c1-c1c2c3ccccc3oc2c2ccccc2[n+]1C
InChIInChI=1S/C30H26NO/c1-18(2)24-17-19(3)27(21-12-6-5-11-20(21)24)29-28-23-14-8-10-16-26(23)32-30(28)22-13-7-9-15-25(22)31(29)4/h5-18H,1-4H3/q+1
InChIKeyRGPLEXYCRLATLY-UHFFFAOYSA-N
XLogP7.82
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.54
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-methyl-6-(2-methyl-4-propan-2-ylnaphthalen-1-yl)-[1]benzofuro[3,2-c]quinolin-5-ium with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-2-(3-methyldibenzofuran-4-yl)-4-propan-2-ylquinolin-1-ium
CID 167358246
1,4-dimethyl-3-propan-2-yldibenzofuran
CID 144782637
2,4-di(propan-2-yl)dibenzofuran-1-amine;ethane
CID 144650095
1,4-dimethyl-2-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)quinolin-1-ium
CID 146947606
1,3-di(propan-2-yl)dibenzofuran-4-amine
CID 58400957
6-methyl-5-oxido-[1]benzofuro[3,2-c]quinolin-5-ium
CID 12502024
2-(1,3-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium
CID 140813540
1-[5,7-di(propan-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-6-yl]-3-methyl-2-(3-methyldibenzofuran-4-yl)benzimidazol-3-ium
CID 169322423
1-methyl-2-(1,1,4,4,5-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-6-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-1-ium
CID 176822722
11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 123841957
11,23-dimethyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 144608278
2-tert-butyl-4-methyl-5-[1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-1-ium-2-yl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 176752147

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(2-methyl-4-propan-2-ylnaphthalen-1-yl)-[1]benzofuro[3,2-c]quinolin-5-ium?
The IUPAC name of 5-methyl-6-(2-methyl-4-propan-2-ylnaphthalen-1-yl)-[1]benzofuro[3,2-c]quinolin-5-ium (CID 167354763) is 5-methyl-6-(2-methyl-4-propan-2-ylnaphthalen-1-yl)-[1]benzofuro[3,2-c]quinolin-5-ium.
What is the SMILES notation for 5-methyl-6-(2-methyl-4-propan-2-ylnaphthalen-1-yl)-[1]benzofuro[3,2-c]quinolin-5-ium?
The canonical SMILES for 5-methyl-6-(2-methyl-4-propan-2-ylnaphthalen-1-yl)-[1]benzofuro[3,2-c]quinolin-5-ium is Cc1cc(C(C)C)c2ccccc2c1-c1c2c3ccccc3oc2c2ccccc2[n+]1C.
What is the InChIKey of 5-methyl-6-(2-methyl-4-propan-2-ylnaphthalen-1-yl)-[1]benzofuro[3,2-c]quinolin-5-ium?
The InChIKey is RGPLEXYCRLATLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26NO/c1-18(2)24-17-19(3)27(21-12-6-5-11-20(21)24)29-28-23-14-8-10-16-26(23)32-30(28)22-13-7-9-15-25(22)31(29)4/h5-18H,1-4H3/q+1.
What are the key properties of 5-methyl-6-(2-methyl-4-propan-2-ylnaphthalen-1-yl)-[1]benzofuro[3,2-c]quinolin-5-ium?
5-methyl-6-(2-methyl-4-propan-2-ylnaphthalen-1-yl)-[1]benzofuro[3,2-c]quinolin-5-ium has a molecular weight of 416.54 g/mol, XLogP of 7.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(2-methyl-4-propan-2-ylnaphthalen-1-yl)-[1]benzofuro[3,2-c]quinolin-5-ium is sourced from PubChem (CID 167354763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).