1,3-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline

C21H18N2O2 — CID 174699527

IUPAC1,3-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline
SMILESCOc1nc(OC)c2ccccc2c1Cc1cnc2ccccc2c1
InChIInChI=1S/C21H18N2O2/c1-24-20-17-9-5-4-8-16(17)18(21(23-20)25-2)12-14-11-15-7-3-6-10-19(15)22-13-14/h3-11,13H,12H2,1-2H3
InChIKeyIUOMWVJBNNJDHZ-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.39
Rot. Bonds4

About 1,3-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline

1,3-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline (PubChem CID 174699527) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1,3-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline.

Molecular Properties

Compound Name1,3-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline
PubChem CID174699527
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name1,3-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline
SMILESCOc1nc(OC)c2ccccc2c1Cc1cnc2ccccc2c1
InChIInChI=1S/C21H18N2O2/c1-24-20-17-9-5-4-8-16(17)18(21(23-20)25-2)12-14-11-15-7-3-6-10-19(15)22-13-14/h3-11,13H,12H2,1-2H3
InChIKeyIUOMWVJBNNJDHZ-UHFFFAOYSA-N
XLogP4.39
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline
CID 74539265
3-bromoquinoline;3-[(2-methoxyphenyl)methyl]quinoline
CID 160741942
3-[(4-bromophenyl)methyl]quinoline
CID 67155836
6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline;methane
CID 159414257
3-(2-methylpropyl)quinoline
CID 12072851
1-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-N-methylmethanamine
CID 107387718
2-quinolin-3-ylethanol
CID 53403774
N-(quinolin-3-ylmethyl)ethanamine
CID 16640553
3-ethylquinoline;quinoline
CID 174966721
3-(3,3-dimethylbutyl)quinoline
CID 58808300
3-[[2-chloro-4-(4-chloro-2-fluorophenyl)-6-methylphenyl]methyl]quinoline
CID 134360633
3-[[4-(trifluoromethyl)phenyl]methyl]quinoline
CID 154466638

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline?
The IUPAC name of 1,3-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline (CID 174699527) is 1,3-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline.
What is the SMILES notation for 1,3-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline?
The canonical SMILES for 1,3-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline is COc1nc(OC)c2ccccc2c1Cc1cnc2ccccc2c1.
What is the InChIKey of 1,3-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline?
The InChIKey is IUOMWVJBNNJDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-24-20-17-9-5-4-8-16(17)18(21(23-20)25-2)12-14-11-15-7-3-6-10-19(15)22-13-14/h3-11,13H,12H2,1-2H3.
What are the key properties of 1,3-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline?
1,3-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline has a molecular weight of 330.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline is sourced from PubChem (CID 174699527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).