3-ethyl-3-methyl-1-quinolin-7-yl-4H-isoquinoline

C21H20N2 — CID 135152564

IUPAC3-ethyl-3-methyl-1-quinolin-7-yl-4H-isoquinoline
SMILESCCC1(C)Cc2ccccc2C(c2ccc3cccnc3c2)=N1
InChIInChI=1S/C21H20N2/c1-3-21(2)14-17-7-4-5-9-18(17)20(23-21)16-11-10-15-8-6-12-22-19(15)13-16/h4-13H,3,14H2,1-2H3
InChIKeyJCEPAASYSHFRMX-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.80
Rot. Bonds2

About 3-ethyl-3-methyl-1-quinolin-7-yl-4H-isoquinoline

3-ethyl-3-methyl-1-quinolin-7-yl-4H-isoquinoline (PubChem CID 135152564) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-quinolin-7-yl-4H-isoquinoline.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-quinolin-7-yl-4H-isoquinoline
PubChem CID135152564
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC Name3-ethyl-3-methyl-1-quinolin-7-yl-4H-isoquinoline
SMILESCCC1(C)Cc2ccccc2C(c2ccc3cccnc3c2)=N1
InChIInChI=1S/C21H20N2/c1-3-21(2)14-17-7-4-5-9-18(17)20(23-21)16-11-10-15-8-6-12-22-19(15)13-16/h4-13H,3,14H2,1-2H3
InChIKeyJCEPAASYSHFRMX-UHFFFAOYSA-N
XLogP4.80
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3,3-dimethyl-1-quinolin-7-yl-4H-isoquinoline
CID 135152411
5-fluoro-3,3-dimethyl-1-quinolin-7-yl-4H-isoquinoline
CID 135152436
3,3-dimethyl-1-quinolin-7-yl-5-(trifluoromethyl)-4H-isoquinoline
CID 135153240
3-(3,3-dimethyl-4H-isoquinolin-1-yl)-6,7-dimethylquinoline
CID 90308725
6-(3,3-dimethyl-4H-isoquinolin-1-yl)-8-methoxyquinoline
CID 135152616
8-bromo-3-(3,3-dimethyl-4H-isoquinolin-1-yl)quinoline
CID 90308670
7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline
CID 122415943
N-[(2-quinolin-7-ylphenyl)methyl]propan-1-amine
CID 81230157
7-(10-quinolin-7-ylanthracen-9-yl)quinoline
CID 167164576
2-quinolin-7-yl-1,3-dihydroinden-2-amine
CID 81196665
7-(7-phenanthren-2-ylnaphthalen-2-yl)quinoline
CID 121287261
2-methyl-4-quinolin-7-ylaniline
CID 81223886

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-quinolin-7-yl-4H-isoquinoline?
The IUPAC name of 3-ethyl-3-methyl-1-quinolin-7-yl-4H-isoquinoline (CID 135152564) is 3-ethyl-3-methyl-1-quinolin-7-yl-4H-isoquinoline.
What is the SMILES notation for 3-ethyl-3-methyl-1-quinolin-7-yl-4H-isoquinoline?
The canonical SMILES for 3-ethyl-3-methyl-1-quinolin-7-yl-4H-isoquinoline is CCC1(C)Cc2ccccc2C(c2ccc3cccnc3c2)=N1.
What is the InChIKey of 3-ethyl-3-methyl-1-quinolin-7-yl-4H-isoquinoline?
The InChIKey is JCEPAASYSHFRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2/c1-3-21(2)14-17-7-4-5-9-18(17)20(23-21)16-11-10-15-8-6-12-22-19(15)13-16/h4-13H,3,14H2,1-2H3.
What are the key properties of 3-ethyl-3-methyl-1-quinolin-7-yl-4H-isoquinoline?
3-ethyl-3-methyl-1-quinolin-7-yl-4H-isoquinoline has a molecular weight of 300.41 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-quinolin-7-yl-4H-isoquinoline is sourced from PubChem (CID 135152564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).