3-ethyl-1-methyl-4-propylisoquinoline;4-ethyl-1-methyl-3-propylisoquinoline;3-ethyl-2-methyl-4-propylquinoline;4-ethyl-2-methyl-3-propylquinoline;2-ethyl-1-propylnaphthalene;8-ethyl-7-propylquinoline;5-ethyl-6-propylquinoxaline

C102H127N7 — CID 162202627

IUPAC3-ethyl-1-methyl-4-propylisoquinoline;4-ethyl-1-methyl-3-propylisoquinoline;3-ethyl-2-methyl-4-propylquinoline;4-ethyl-2-methyl-3-propylquinoline;2-ethyl-1-propylnaphthalene;8-ethyl-7-propylquinoline;5-ethyl-6-propylquinoxaline
SMILESCCCc1c(C)nc2ccccc2c1CC.CCCc1c(CC)c(C)nc2ccccc12.CCCc1c(CC)ccc2ccccc12.CCCc1c(CC)nc(C)c2ccccc12.CCCc1ccc2cccnc2c1CC.CCCc1ccc2nccnc2c1CC.CCCc1nc(C)c2ccccc2c1CC
InChIInChI=1S/4C15H19N.C15H18.C14H17N.C13H16N2/c1-4-8-14-13-10-7-6-9-12(13)11(3)16-15(14)5-2;1-4-8-15-12(5-2)14-10-7-6-9-13(14)11(3)16-15;1-4-8-13-11(3)16-15-10-7-6-9-14(15)12(13)5-2;1-4-8-13-12(5-2)11(3)16-15-10-7-6-9-14(13)15;1-3-7-14-12(4-2)10-11-13-8-5-6-9-15(13)14;1-3-6-11-8-9-12-7-5-10-15-14(12)13(11)4-2;1-3-5-10-6-7-12-13(11(10)4-2)15-9-8-14-12/h4*6-7,9-10H,4-5,8H2,1-3H3;5-6,8-11H,3-4,7H2,1-2H3;5,7-10H,3-4,6H2,1-2H3;6-9H,3-5H2,1-2H3
InChIKeyZRUAZXOZHVILSE-UHFFFAOYSA-N
MW1451.19 g/mol
LogP27.48
Rot. Bonds21

About 3-ethyl-1-methyl-4-propylisoquinoline;4-ethyl-1-methyl-3-propylisoquinoline;3-ethyl-2-methyl-4-propylquinoline;4-ethyl-2-methyl-3-propylquinoline;2-ethyl-1-propylnaphthalene;8-ethyl-7-propylquinoline;5-ethyl-6-propylquinoxaline

3-ethyl-1-methyl-4-propylisoquinoline;4-ethyl-1-methyl-3-propylisoquinoline;3-ethyl-2-methyl-4-propylquinoline;4-ethyl-2-methyl-3-propylquinoline;2-ethyl-1-propylnaphthalene;8-ethyl-7-propylquinoline;5-ethyl-6-propylquinoxaline (PubChem CID 162202627) has the molecular formula C102H127N7 and a molecular weight of 1451.19 g/mol. Its IUPAC name is 3-ethyl-1-methyl-4-propylisoquinoline;4-ethyl-1-methyl-3-propylisoquinoline;3-ethyl-2-methyl-4-propylquinoline;4-ethyl-2-methyl-3-propylquinoline;2-ethyl-1-propylnaphthalene;8-ethyl-7-propylquinoline;5-ethyl-6-propylquinoxaline.

Molecular Properties

Compound Name3-ethyl-1-methyl-4-propylisoquinoline;4-ethyl-1-methyl-3-propylisoquinoline;3-ethyl-2-methyl-4-propylquinoline;4-ethyl-2-methyl-3-propylquinoline;2-ethyl-1-propylnaphthalene;8-ethyl-7-propylquinoline;5-ethyl-6-propylquinoxaline
PubChem CID162202627
Molecular FormulaC102H127N7
Molecular Weight1451.19 g/mol
Exact Mass1450.02
IUPAC Name3-ethyl-1-methyl-4-propylisoquinoline;4-ethyl-1-methyl-3-propylisoquinoline;3-ethyl-2-methyl-4-propylquinoline;4-ethyl-2-methyl-3-propylquinoline;2-ethyl-1-propylnaphthalene;8-ethyl-7-propylquinoline;5-ethyl-6-propylquinoxaline
SMILESCCCc1c(C)nc2ccccc2c1CC.CCCc1c(CC)c(C)nc2ccccc12.CCCc1c(CC)ccc2ccccc12.CCCc1c(CC)nc(C)c2ccccc12.CCCc1ccc2cccnc2c1CC.CCCc1ccc2nccnc2c1CC.CCCc1nc(C)c2ccccc2c1CC
InChIInChI=1S/4C15H19N.C15H18.C14H17N.C13H16N2/c1-4-8-14-13-10-7-6-9-12(13)11(3)16-15(14)5-2;1-4-8-15-12(5-2)14-10-7-6-9-13(14)11(3)16-15;1-4-8-13-11(3)16-15-10-7-6-9-14(15)12(13)5-2;1-4-8-13-12(5-2)11(3)16-15-10-7-6-9-14(13)15;1-3-7-14-12(4-2)10-11-13-8-5-6-9-15(13)14;1-3-6-11-8-9-12-7-5-10-15-14(12)13(11)4-2;1-3-5-10-6-7-12-13(11(10)4-2)15-9-8-14-12/h4*6-7,9-10H,4-5,8H2,1-3H3;5-6,8-11H,3-4,7H2,1-2H3;5,7-10H,3-4,6H2,1-2H3;6-9H,3-5H2,1-2H3
InChIKeyZRUAZXOZHVILSE-UHFFFAOYSA-N
XLogP27.48
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001451.19
LogP ≤ 527.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-1-methyl-4-propylisoquinoline;4-ethyl-1-methyl-3-propylisoquinoline;3-ethyl-2-methyl-4-propylquinoline;4-ethyl-2-methyl-3-propylquinoline;2-ethyl-1-propylnaphthalene;8-ethyl-7-propylquinoline;5-ethyl-6-propylquinoxaline with MolForge

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Related Compounds

3-ethyl-1-methyl-4-propylisoquinoline
CID 153439364
1-methyl-3,4-dipropylisoquinoline
CID 44606949
3,4-dibutyl-1-methylisoquinoline
CID 71619287
4-ethyl-2-methylquinoline-3-carbaldehyde
CID 178074817
8-ethyl-7-[2-(3-methylphenyl)ethyl]quinoline
CID 142372840
7-propylquinoline-8-carboxylic acid
CID 86190873
7-propylquinolin-8-ol
CID 11604513
2-pentyl-1-propylnaphthalene
CID 173391876
4-ethyl-2-methyl-3-propyl-6-(trifluoromethyl)quinoline
CID 125452574
tetrakis(6-(5,6-dipropyl-2-pyridinyl)-2,3-dipropylpyridine);2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;bis(ruthenium(2+))
CID 45256251
8-[(2-hydroxynaphthalen-1-yl)methyl]quinolin-7-ol
CID 166589880
2-hexyl-1-propylnaphthalene
CID 173300538

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-4-propylisoquinoline;4-ethyl-1-methyl-3-propylisoquinoline;3-ethyl-2-methyl-4-propylquinoline;4-ethyl-2-methyl-3-propylquinoline;2-ethyl-1-propylnaphthalene;8-ethyl-7-propylquinoline;5-ethyl-6-propylquinoxaline?
The IUPAC name of 3-ethyl-1-methyl-4-propylisoquinoline;4-ethyl-1-methyl-3-propylisoquinoline;3-ethyl-2-methyl-4-propylquinoline;4-ethyl-2-methyl-3-propylquinoline;2-ethyl-1-propylnaphthalene;8-ethyl-7-propylquinoline;5-ethyl-6-propylquinoxaline (CID 162202627) is 3-ethyl-1-methyl-4-propylisoquinoline;4-ethyl-1-methyl-3-propylisoquinoline;3-ethyl-2-methyl-4-propylquinoline;4-ethyl-2-methyl-3-propylquinoline;2-ethyl-1-propylnaphthalene;8-ethyl-7-propylquinoline;5-ethyl-6-propylquinoxaline.
What is the SMILES notation for 3-ethyl-1-methyl-4-propylisoquinoline;4-ethyl-1-methyl-3-propylisoquinoline;3-ethyl-2-methyl-4-propylquinoline;4-ethyl-2-methyl-3-propylquinoline;2-ethyl-1-propylnaphthalene;8-ethyl-7-propylquinoline;5-ethyl-6-propylquinoxaline?
The canonical SMILES for 3-ethyl-1-methyl-4-propylisoquinoline;4-ethyl-1-methyl-3-propylisoquinoline;3-ethyl-2-methyl-4-propylquinoline;4-ethyl-2-methyl-3-propylquinoline;2-ethyl-1-propylnaphthalene;8-ethyl-7-propylquinoline;5-ethyl-6-propylquinoxaline is CCCc1c(C)nc2ccccc2c1CC.CCCc1c(CC)c(C)nc2ccccc12.CCCc1c(CC)ccc2ccccc12.CCCc1c(CC)nc(C)c2ccccc12.CCCc1ccc2cccnc2c1CC.CCCc1ccc2nccnc2c1CC.CCCc1nc(C)c2ccccc2c1CC.
What is the InChIKey of 3-ethyl-1-methyl-4-propylisoquinoline;4-ethyl-1-methyl-3-propylisoquinoline;3-ethyl-2-methyl-4-propylquinoline;4-ethyl-2-methyl-3-propylquinoline;2-ethyl-1-propylnaphthalene;8-ethyl-7-propylquinoline;5-ethyl-6-propylquinoxaline?
The InChIKey is ZRUAZXOZHVILSE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H19N.C15H18.C14H17N.C13H16N2/c1-4-8-14-13-10-7-6-9-12(13)11(3)16-15(14)5-2;1-4-8-15-12(5-2)14-10-7-6-9-13(14)11(3)16-15;1-4-8-13-11(3)16-15-10-7-6-9-14(15)12(13)5-2;1-4-8-13-12(5-2)11(3)16-15-10-7-6-9-14(13)15;1-3-7-14-12(4-2)10-11-13-8-5-6-9-15(13)14;1-3-6-11-8-9-12-7-5-10-15-14(12)13(11)4-2;1-3-5-10-6-7-12-13(11(10)4-2)15-9-8-14-12/h4*6-7,9-10H,4-5,8H2,1-3H3;5-6,8-11H,3-4,7H2,1-2H3;5,7-10H,3-4,6H2,1-2H3;6-9H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-4-propylisoquinoline;4-ethyl-1-methyl-3-propylisoquinoline;3-ethyl-2-methyl-4-propylquinoline;4-ethyl-2-methyl-3-propylquinoline;2-ethyl-1-propylnaphthalene;8-ethyl-7-propylquinoline;5-ethyl-6-propylquinoxaline?
3-ethyl-1-methyl-4-propylisoquinoline;4-ethyl-1-methyl-3-propylisoquinoline;3-ethyl-2-methyl-4-propylquinoline;4-ethyl-2-methyl-3-propylquinoline;2-ethyl-1-propylnaphthalene;8-ethyl-7-propylquinoline;5-ethyl-6-propylquinoxaline has a molecular weight of 1451.19 g/mol, XLogP of 27.48, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-4-propylisoquinoline;4-ethyl-1-methyl-3-propylisoquinoline;3-ethyl-2-methyl-4-propylquinoline;4-ethyl-2-methyl-3-propylquinoline;2-ethyl-1-propylnaphthalene;8-ethyl-7-propylquinoline;5-ethyl-6-propylquinoxaline is sourced from PubChem (CID 162202627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).