3-[3-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-4-methyl-[1]benzofuro[2,3-b]quinoline

C28H20N4O — CID 137104666

IUPAC3-[3-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-4-methyl-[1]benzofuro[2,3-b]quinoline
SMILESCc1c(-c2cccc(-c3cn4c(n3)NCC=C4)c2)ccc2c1oc1nc3ccccc3cc12
InChIInChI=1S/C28H20N4O/c1-17-21(18-7-4-8-19(14-18)25-16-32-13-5-12-29-28(32)31-25)10-11-22-23-15-20-6-2-3-9-24(20)30-27(23)33-26(17)22/h2-11,13-16H,12H2,1H3,(H,29,31)
InChIKeyFNHVOJBLIIZHGB-UHFFFAOYSA-N
MW428.50 g/mol
LogP6.87
Rot. Bonds2

About 3-[3-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-4-methyl-[1]benzofuro[2,3-b]quinoline

3-[3-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-4-methyl-[1]benzofuro[2,3-b]quinoline (PubChem CID 137104666) has the molecular formula C28H20N4O and a molecular weight of 428.50 g/mol. Its IUPAC name is 3-[3-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-4-methyl-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

Compound Name3-[3-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-4-methyl-[1]benzofuro[2,3-b]quinoline
PubChem CID137104666
Molecular FormulaC28H20N4O
Molecular Weight428.50 g/mol
Exact Mass428.16
IUPAC Name3-[3-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-4-methyl-[1]benzofuro[2,3-b]quinoline
SMILESCc1c(-c2cccc(-c3cn4c(n3)NCC=C4)c2)ccc2c1oc1nc3ccccc3cc12
InChIInChI=1S/C28H20N4O/c1-17-21(18-7-4-8-19(14-18)25-16-32-13-5-12-29-28(32)31-25)10-11-22-23-15-20-6-2-3-9-24(20)30-27(23)33-26(17)22/h2-11,13-16H,12H2,1H3,(H,29,31)
InChIKeyFNHVOJBLIIZHGB-UHFFFAOYSA-N
XLogP6.87
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.50
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-4-methyl-[1]benzofuro[2,3-b]quinoline with MolForge

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Related Compounds

3,4-dimethyl-[1]benzofuro[2,3-b]quinoline
CID 167697502
2-methyl-8-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 140760585
4-(1,3-dimethylimidazol-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline
CID 140827931
2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778940
2-methyl-8-[4-(5-methylquinolin-6-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778917
1-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline
CID 166502742
CID 174072504
CID 174072504
2-(4-phenylphenyl)-[1]benzofuro[2,3-b]quinoline
CID 159518374
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 168746849
3-methyl-4-(3,5,5,8,8-pentamethyl-6,7-dihydroquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]quinoline
CID 176822430
2-phenyl-8-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 156669508
3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline
CID 134841848

Frequently Asked Questions

What is the IUPAC name of 3-[3-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-4-methyl-[1]benzofuro[2,3-b]quinoline?
The IUPAC name of 3-[3-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-4-methyl-[1]benzofuro[2,3-b]quinoline (CID 137104666) is 3-[3-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-4-methyl-[1]benzofuro[2,3-b]quinoline.
What is the SMILES notation for 3-[3-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-4-methyl-[1]benzofuro[2,3-b]quinoline?
The canonical SMILES for 3-[3-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-4-methyl-[1]benzofuro[2,3-b]quinoline is Cc1c(-c2cccc(-c3cn4c(n3)NCC=C4)c2)ccc2c1oc1nc3ccccc3cc12.
What is the InChIKey of 3-[3-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-4-methyl-[1]benzofuro[2,3-b]quinoline?
The InChIKey is FNHVOJBLIIZHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4O/c1-17-21(18-7-4-8-19(14-18)25-16-32-13-5-12-29-28(32)31-25)10-11-22-23-15-20-6-2-3-9-24(20)30-27(23)33-26(17)22/h2-11,13-16H,12H2,1H3,(H,29,31).
What are the key properties of 3-[3-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-4-methyl-[1]benzofuro[2,3-b]quinoline?
3-[3-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-4-methyl-[1]benzofuro[2,3-b]quinoline has a molecular weight of 428.50 g/mol, XLogP of 6.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-4-methyl-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 137104666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).