4-ethyl-1-methyl-3-phenylisoquinoline

C18H17N — CID 44606951

IUPAC4-ethyl-1-methyl-3-phenylisoquinoline
SMILESCCc1c(-c2ccccc2)nc(C)c2ccccc12
InChIInChI=1S/C18H17N/c1-3-15-17-12-8-7-11-16(17)13(2)19-18(15)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3
InChIKeyUDUNXHSCNVJADF-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.77
Rot. Bonds2

About 4-ethyl-1-methyl-3-phenylisoquinoline

4-ethyl-1-methyl-3-phenylisoquinoline (PubChem CID 44606951) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-ethyl-1-methyl-3-phenylisoquinoline.

Molecular Properties

Compound Name4-ethyl-1-methyl-3-phenylisoquinoline
PubChem CID44606951
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name4-ethyl-1-methyl-3-phenylisoquinoline
SMILESCCc1c(-c2ccccc2)nc(C)c2ccccc12
InChIInChI=1S/C18H17N/c1-3-15-17-12-8-7-11-16(17)13(2)19-18(15)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3
InChIKeyUDUNXHSCNVJADF-UHFFFAOYSA-N
XLogP4.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

azane;1,4-dimethyl-3-phenylisoquinoline
CID 175418789
4-butyl-3-(4-fluorophenyl)-1-methylisoquinoline
CID 71619397
methyl 1-methyl-3-phenylisoquinoline-4-carboxylate
CID 138972318
3-ethyl-1-methyl-4-propylisoquinoline
CID 153439364
2-(3-ethyl-2-phenylquinolin-4-yl)acetic acid
CID 21283577
4-methyl-2-phenyl-3-propylquinoline
CID 39902639
4-ethyl-5-methyl-3-phenyl-1H-pyrazole
CID 118348621
1-methyl-3,4-dipropylisoquinoline
CID 44606949
4-ethyl-2-methylquinoline-3-carbaldehyde
CID 178074817
4-ethyl-1,3-dimethyl-5-phenylpyrazole
CID 70791504
3,4-dibutyl-1-methylisoquinoline
CID 71619287
3,4-diethyl-2-phenyl-5,6-dipropylpyridine
CID 15439664

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-3-phenylisoquinoline?
The IUPAC name of 4-ethyl-1-methyl-3-phenylisoquinoline (CID 44606951) is 4-ethyl-1-methyl-3-phenylisoquinoline.
What is the SMILES notation for 4-ethyl-1-methyl-3-phenylisoquinoline?
The canonical SMILES for 4-ethyl-1-methyl-3-phenylisoquinoline is CCc1c(-c2ccccc2)nc(C)c2ccccc12.
What is the InChIKey of 4-ethyl-1-methyl-3-phenylisoquinoline?
The InChIKey is UDUNXHSCNVJADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-3-15-17-12-8-7-11-16(17)13(2)19-18(15)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3.
What are the key properties of 4-ethyl-1-methyl-3-phenylisoquinoline?
4-ethyl-1-methyl-3-phenylisoquinoline has a molecular weight of 247.34 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-3-phenylisoquinoline is sourced from PubChem (CID 44606951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).