3-butyl-6-methoxy-1-quinolin-6-yl-3,4-dihydroisoquinoline

C23H24N2O — CID 155125260

IUPAC3-butyl-6-methoxy-1-quinolin-6-yl-3,4-dihydroisoquinoline
SMILESCCCCC1Cc2cc(OC)ccc2C(c2ccc3ncccc3c2)=N1
InChIInChI=1S/C23H24N2O/c1-3-4-7-19-14-18-15-20(26-2)9-10-21(18)23(25-19)17-8-11-22-16(13-17)6-5-12-24-22/h5-6,8-13,15,19H,3-4,7,14H2,1-2H3
InChIKeyLZLCKRGVUDWHES-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.20
Rot. Bonds5

About 3-butyl-6-methoxy-1-quinolin-6-yl-3,4-dihydroisoquinoline

3-butyl-6-methoxy-1-quinolin-6-yl-3,4-dihydroisoquinoline (PubChem CID 155125260) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-butyl-6-methoxy-1-quinolin-6-yl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name3-butyl-6-methoxy-1-quinolin-6-yl-3,4-dihydroisoquinoline
PubChem CID155125260
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name3-butyl-6-methoxy-1-quinolin-6-yl-3,4-dihydroisoquinoline
SMILESCCCCC1Cc2cc(OC)ccc2C(c2ccc3ncccc3c2)=N1
InChIInChI=1S/C23H24N2O/c1-3-4-7-19-14-18-15-20(26-2)9-10-21(18)23(25-19)17-8-11-22-16(13-17)6-5-12-24-22/h5-6,8-13,15,19H,3-4,7,14H2,1-2H3
InChIKeyLZLCKRGVUDWHES-UHFFFAOYSA-N
XLogP5.20
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-butyl-6-methoxy-1-quinolin-6-yl-3,4-dihydroisoquinoline with MolForge

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Related Compounds

3-butyl-1-(4-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline
CID 155125249
N-[[4-[(3R)-3-butyl-6-methoxy-3,4-dihydroisoquinolin-1-yl]phenyl]methyl]adamantan-1-amine
CID 175690634
ethene;6-methoxyquinoline
CID 174599262
6-tridecoxyquinoline
CID 174908858
6-[(3-methoxyphenyl)methyl]quinoline
CID 172878073
7-butoxy-6-methoxyquinoline
CID 161197918
(5S,11S)-2,8-dimethoxy-5,11-dimethyl-5,6,11,12-tetrahydrochrysene
CID 10543706
(3S)-2-benzyl-3-butyl-1-(4-iodophenyl)-6-methoxy-3,4-dihydroisoquinolin-2-ium
CID 171054015
6-methoxy-2-(6-octoxynaphthalen-2-yl)quinoline
CID 122228076
N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride
CID 3068617
(6aS)-7-[3-[[(6aS)-2-methoxy-11-oxo-8-quinolin-6-yl-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-7-yl]oxy]propoxy]-2-methoxy-8-quinolin-6-yl-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 131727741
6-[2-[(4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
CID 59869013

Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-methoxy-1-quinolin-6-yl-3,4-dihydroisoquinoline?
The IUPAC name of 3-butyl-6-methoxy-1-quinolin-6-yl-3,4-dihydroisoquinoline (CID 155125260) is 3-butyl-6-methoxy-1-quinolin-6-yl-3,4-dihydroisoquinoline.
What is the SMILES notation for 3-butyl-6-methoxy-1-quinolin-6-yl-3,4-dihydroisoquinoline?
The canonical SMILES for 3-butyl-6-methoxy-1-quinolin-6-yl-3,4-dihydroisoquinoline is CCCCC1Cc2cc(OC)ccc2C(c2ccc3ncccc3c2)=N1.
What is the InChIKey of 3-butyl-6-methoxy-1-quinolin-6-yl-3,4-dihydroisoquinoline?
The InChIKey is LZLCKRGVUDWHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-3-4-7-19-14-18-15-20(26-2)9-10-21(18)23(25-19)17-8-11-22-16(13-17)6-5-12-24-22/h5-6,8-13,15,19H,3-4,7,14H2,1-2H3.
What are the key properties of 3-butyl-6-methoxy-1-quinolin-6-yl-3,4-dihydroisoquinoline?
3-butyl-6-methoxy-1-quinolin-6-yl-3,4-dihydroisoquinoline has a molecular weight of 344.46 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-methoxy-1-quinolin-6-yl-3,4-dihydroisoquinoline is sourced from PubChem (CID 155125260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).