3-ethyl-1-methyl-4-propylisoquinoline

C15H19N — CID 153439364

IUPAC3-ethyl-1-methyl-4-propylisoquinoline
SMILESCCCc1c(CC)nc(C)c2ccccc12
InChIInChI=1S/C15H19N/c1-4-8-14-13-10-7-6-9-12(13)11(3)16-15(14)5-2/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyMDGDHGQWHDWRPN-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.06
Rot. Bonds3

About 3-ethyl-1-methyl-4-propylisoquinoline

3-ethyl-1-methyl-4-propylisoquinoline (PubChem CID 153439364) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-ethyl-1-methyl-4-propylisoquinoline.

Molecular Properties

Compound Name3-ethyl-1-methyl-4-propylisoquinoline
PubChem CID153439364
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name3-ethyl-1-methyl-4-propylisoquinoline
SMILESCCCc1c(CC)nc(C)c2ccccc12
InChIInChI=1S/C15H19N/c1-4-8-14-13-10-7-6-9-12(13)11(3)16-15(14)5-2/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyMDGDHGQWHDWRPN-UHFFFAOYSA-N
XLogP4.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3,4-dipropylisoquinoline
CID 44606949
3,4-dibutyl-1-methylisoquinoline
CID 71619287
2,3-diethyl-1-methyl-4-propylnaphthalene
CID 139700920
4-ethyl-1-methyl-3-phenylisoquinoline
CID 44606951
ethane;9-methyl-10-propylanthracene
CID 144649779
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
4-methyl-2-propylquinazoline
CID 102028335
9,10-dibutylanthracene
CID 605822
4-butyl-3-(4-fluorophenyl)-1-methylisoquinoline
CID 71619397
1,2,3,4-tetrapropylanthracene
CID 15504630
1,2,3,4,6,11-hexabutyltetracene
CID 102079773
6,11-dibutyl-1,2,3,4-tetraethyltetracene
CID 58766221

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-4-propylisoquinoline?
The IUPAC name of 3-ethyl-1-methyl-4-propylisoquinoline (CID 153439364) is 3-ethyl-1-methyl-4-propylisoquinoline.
What is the SMILES notation for 3-ethyl-1-methyl-4-propylisoquinoline?
The canonical SMILES for 3-ethyl-1-methyl-4-propylisoquinoline is CCCc1c(CC)nc(C)c2ccccc12.
What is the InChIKey of 3-ethyl-1-methyl-4-propylisoquinoline?
The InChIKey is MDGDHGQWHDWRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-4-8-14-13-10-7-6-9-12(13)11(3)16-15(14)5-2/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-4-propylisoquinoline?
3-ethyl-1-methyl-4-propylisoquinoline has a molecular weight of 213.32 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-4-propylisoquinoline is sourced from PubChem (CID 153439364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).