2-methyl-6-(2-naphtho[1,2-b][1]benzofuran-10-yl-4-pyridinyl)quinoline

C31H20N2O — CID 176779185

IUPAC2-methyl-6-(2-naphtho[1,2-b][1]benzofuran-10-yl-4-pyridinyl)quinoline
SMILESCc1ccc2cc(-c3ccnc(-c4cccc5c4oc4c6ccccc6ccc54)c3)ccc2n1
InChIInChI=1S/C31H20N2O/c1-19-9-10-23-17-21(12-14-28(23)33-19)22-15-16-32-29(18-22)27-8-4-7-25-26-13-11-20-5-2-3-6-24(20)30(26)34-31(25)27/h2-18H,1H3
InChIKeyVODJHWNVPKBGKA-UHFFFAOYSA-N
MW436.51 g/mol
LogP8.32
Rot. Bonds2

About 2-methyl-6-(2-naphtho[1,2-b][1]benzofuran-10-yl-4-pyridinyl)quinoline

2-methyl-6-(2-naphtho[1,2-b][1]benzofuran-10-yl-4-pyridinyl)quinoline (PubChem CID 176779185) has the molecular formula C31H20N2O and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-methyl-6-(2-naphtho[1,2-b][1]benzofuran-10-yl-4-pyridinyl)quinoline.

Molecular Properties

Compound Name2-methyl-6-(2-naphtho[1,2-b][1]benzofuran-10-yl-4-pyridinyl)quinoline
PubChem CID176779185
Molecular FormulaC31H20N2O
Molecular Weight436.51 g/mol
Exact Mass436.16
IUPAC Name2-methyl-6-(2-naphtho[1,2-b][1]benzofuran-10-yl-4-pyridinyl)quinoline
SMILESCc1ccc2cc(-c3ccnc(-c4cccc5c4oc4c6ccccc6ccc54)c3)ccc2n1
InChIInChI=1S/C31H20N2O/c1-19-9-10-23-17-21(12-14-28(23)33-19)22-15-16-32-29(18-22)27-8-4-7-25-26-13-11-20-5-2-3-6-24(20)30(26)34-31(25)27/h2-18H,1H3
InChIKeyVODJHWNVPKBGKA-UHFFFAOYSA-N
XLogP8.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-naphthalen-1-ylquinoline
CID 58099181
4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
CID 166172190
2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778940
10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[2,3-f]quinoline
CID 172522572
2-(6-methyldibenzofuran-4-yl)-4-phenylpyridine
CID 140775821
8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 90121582
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
2-naphthalen-1-yl-4-naphthalen-2-ylpyridine
CID 144888160
4-(2-methylquinolin-6-yl)-1,10-phenanthroline
CID 145180172
2-methyl-8-[4-(5-methylquinolin-6-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778917
2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 90121498
5-methyl-2-naphtho[1,2-b][1]benzofuran-10-yl-4-(2,4,5-trimethylphenyl)pyridine
CID 155785024

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-naphtho[1,2-b][1]benzofuran-10-yl-4-pyridinyl)quinoline?
The IUPAC name of 2-methyl-6-(2-naphtho[1,2-b][1]benzofuran-10-yl-4-pyridinyl)quinoline (CID 176779185) is 2-methyl-6-(2-naphtho[1,2-b][1]benzofuran-10-yl-4-pyridinyl)quinoline.
What is the SMILES notation for 2-methyl-6-(2-naphtho[1,2-b][1]benzofuran-10-yl-4-pyridinyl)quinoline?
The canonical SMILES for 2-methyl-6-(2-naphtho[1,2-b][1]benzofuran-10-yl-4-pyridinyl)quinoline is Cc1ccc2cc(-c3ccnc(-c4cccc5c4oc4c6ccccc6ccc54)c3)ccc2n1.
What is the InChIKey of 2-methyl-6-(2-naphtho[1,2-b][1]benzofuran-10-yl-4-pyridinyl)quinoline?
The InChIKey is VODJHWNVPKBGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2O/c1-19-9-10-23-17-21(12-14-28(23)33-19)22-15-16-32-29(18-22)27-8-4-7-25-26-13-11-20-5-2-3-6-24(20)30(26)34-31(25)27/h2-18H,1H3.
What are the key properties of 2-methyl-6-(2-naphtho[1,2-b][1]benzofuran-10-yl-4-pyridinyl)quinoline?
2-methyl-6-(2-naphtho[1,2-b][1]benzofuran-10-yl-4-pyridinyl)quinoline has a molecular weight of 436.51 g/mol, XLogP of 8.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-naphtho[1,2-b][1]benzofuran-10-yl-4-pyridinyl)quinoline is sourced from PubChem (CID 176779185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).