4-methyl-3-(3,4,5-trimethylphenyl)isoquinoline

C19H19N — CID 58971578

IUPAC4-methyl-3-(3,4,5-trimethylphenyl)isoquinoline
SMILESCc1cc(-c2ncc3ccccc3c2C)cc(C)c1C
InChIInChI=1S/C19H19N/c1-12-9-17(10-13(2)14(12)3)19-15(4)18-8-6-5-7-16(18)11-20-19/h5-11H,1-4H3
InChIKeyMUWQTLONDGHNCV-UHFFFAOYSA-N
MW261.37 g/mol
LogP5.14
Rot. Bonds1

About 4-methyl-3-(3,4,5-trimethylphenyl)isoquinoline

4-methyl-3-(3,4,5-trimethylphenyl)isoquinoline (PubChem CID 58971578) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-methyl-3-(3,4,5-trimethylphenyl)isoquinoline.

Molecular Properties

Compound Name4-methyl-3-(3,4,5-trimethylphenyl)isoquinoline
PubChem CID58971578
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name4-methyl-3-(3,4,5-trimethylphenyl)isoquinoline
SMILESCc1cc(-c2ncc3ccccc3c2C)cc(C)c1C
InChIInChI=1S/C19H19N/c1-12-9-17(10-13(2)14(12)3)19-15(4)18-8-6-5-7-16(18)11-20-19/h5-11H,1-4H3
InChIKeyMUWQTLONDGHNCV-UHFFFAOYSA-N
XLogP5.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-methylisoquinolin-3-amine
CID 145004950
4-methyl-3-[9-methyl-7,9-bis(trifluoromethyl)fluoren-2-yl]isoquinoline
CID 59859389
3,12,12-trimethyl-21-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 58049992
5,8-bis(3,4,5-trimethylphenyl)benzo[c]phenanthrene
CID 59282201
1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene
CID 58049667
3,4,5-trimethyl-2-phenylpyridine
CID 59359504
4-bromo-3-phenylisoquinoline
CID 152778536
N-chloro-3-methylisoquinolin-4-amine
CID 87713222
1,4-dimethylphenanthridine
CID 122403892
9-methyl-1-(3,4,5-trimethylphenyl)pyrido[3,4-b]indole
CID 126583667
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
9-methylanthracene;naphthalene
CID 142881908

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3,4,5-trimethylphenyl)isoquinoline?
The IUPAC name of 4-methyl-3-(3,4,5-trimethylphenyl)isoquinoline (CID 58971578) is 4-methyl-3-(3,4,5-trimethylphenyl)isoquinoline.
What is the SMILES notation for 4-methyl-3-(3,4,5-trimethylphenyl)isoquinoline?
The canonical SMILES for 4-methyl-3-(3,4,5-trimethylphenyl)isoquinoline is Cc1cc(-c2ncc3ccccc3c2C)cc(C)c1C.
What is the InChIKey of 4-methyl-3-(3,4,5-trimethylphenyl)isoquinoline?
The InChIKey is MUWQTLONDGHNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-12-9-17(10-13(2)14(12)3)19-15(4)18-8-6-5-7-16(18)11-20-19/h5-11H,1-4H3.
What are the key properties of 4-methyl-3-(3,4,5-trimethylphenyl)isoquinoline?
4-methyl-3-(3,4,5-trimethylphenyl)isoquinoline has a molecular weight of 261.37 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3,4,5-trimethylphenyl)isoquinoline is sourced from PubChem (CID 58971578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).