3,3,6-trimethyl-2,4-dihydro-1H-[1]benzofuro[2,3-c]quinolin-5-ium

C18H20NO+ — CID 4645102

IUPAC3,3,6-trimethyl-2,4-dihydro-1H-[1]benzofuro[2,3-c]quinolin-5-ium
SMILESCc1[nH+]c2c(c3c1oc1ccccc13)CCC(C)(C)C2
InChIInChI=1S/C18H19NO/c1-11-17-16(13-6-4-5-7-15(13)20-17)12-8-9-18(2,3)10-14(12)19-11/h4-7H,8-10H2,1-3H3/p+1
InChIKeyMBSXEEUDAYZNJH-UHFFFAOYSA-O
MW266.36 g/mol
LogP4.22
Rot. Bonds

About 3,3,6-trimethyl-2,4-dihydro-1H-[1]benzofuro[2,3-c]quinolin-5-ium

3,3,6-trimethyl-2,4-dihydro-1H-[1]benzofuro[2,3-c]quinolin-5-ium (PubChem CID 4645102) has the molecular formula C18H20NO+ and a molecular weight of 266.36 g/mol. Its IUPAC name is 3,3,6-trimethyl-2,4-dihydro-1H-[1]benzofuro[2,3-c]quinolin-5-ium.

Molecular Properties

Compound Name3,3,6-trimethyl-2,4-dihydro-1H-[1]benzofuro[2,3-c]quinolin-5-ium
PubChem CID4645102
Molecular FormulaC18H20NO+
Molecular Weight266.36 g/mol
Exact Mass266.15
IUPAC Name3,3,6-trimethyl-2,4-dihydro-1H-[1]benzofuro[2,3-c]quinolin-5-ium
SMILESCc1[nH+]c2c(c3c1oc1ccccc13)CCC(C)(C)C2
InChIInChI=1S/C18H19NO/c1-11-17-16(13-6-4-5-7-15(13)20-17)12-8-9-18(2,3)10-14(12)19-11/h4-7H,8-10H2,1-3H3/p+1
InChIKeyMBSXEEUDAYZNJH-UHFFFAOYSA-O
XLogP4.22
TPSA27.28 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
4,4,5,5-tetramethyl-2-(4-methyldibenzofuran-1-yl)-1,3,2-dioxaborolane
CID 155603276
6-methyl-5-oxido-[1]benzofuro[3,2-c]quinolin-5-ium
CID 12502024
3-methyldibenzofuran-1,4-diamine
CID 68822096
1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole
CID 158099360
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
1,5-dimethyl-2-(1,1,4,4,5-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-6-yl)pyrazin-1-ium
CID 176822673
1,3-dimethoxy-4-methyldibenzofuran
CID 86106843
1,1,4,4-tetramethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran
CID 171579490
(2R)-2-methyl-2-trimethylsilyloxy-3,4-dihydropyrano[3,2-c]chromen-5-one
CID 139068634
1-methyl-2-(1,1,4,4,5-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-6-yl)-4-(trideuteriomethyl)pyridin-1-ium
CID 176822597
5-chloro-3,3-dimethyl-1,2-dihydropyrano[2,3-c]xanthen-7-one
CID 172638282

Frequently Asked Questions

What is the IUPAC name of 3,3,6-trimethyl-2,4-dihydro-1H-[1]benzofuro[2,3-c]quinolin-5-ium?
The IUPAC name of 3,3,6-trimethyl-2,4-dihydro-1H-[1]benzofuro[2,3-c]quinolin-5-ium (CID 4645102) is 3,3,6-trimethyl-2,4-dihydro-1H-[1]benzofuro[2,3-c]quinolin-5-ium.
What is the SMILES notation for 3,3,6-trimethyl-2,4-dihydro-1H-[1]benzofuro[2,3-c]quinolin-5-ium?
The canonical SMILES for 3,3,6-trimethyl-2,4-dihydro-1H-[1]benzofuro[2,3-c]quinolin-5-ium is Cc1[nH+]c2c(c3c1oc1ccccc13)CCC(C)(C)C2.
What is the InChIKey of 3,3,6-trimethyl-2,4-dihydro-1H-[1]benzofuro[2,3-c]quinolin-5-ium?
The InChIKey is MBSXEEUDAYZNJH-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19NO/c1-11-17-16(13-6-4-5-7-15(13)20-17)12-8-9-18(2,3)10-14(12)19-11/h4-7H,8-10H2,1-3H3/p+1.
What are the key properties of 3,3,6-trimethyl-2,4-dihydro-1H-[1]benzofuro[2,3-c]quinolin-5-ium?
3,3,6-trimethyl-2,4-dihydro-1H-[1]benzofuro[2,3-c]quinolin-5-ium has a molecular weight of 266.36 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-trimethyl-2,4-dihydro-1H-[1]benzofuro[2,3-c]quinolin-5-ium is sourced from PubChem (CID 4645102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).