2-(2,5-dimethylfuran-3-yl)-4-phenylquinoline

C21H17NO — CID 2460701

IUPAC2-(2,5-dimethylfuran-3-yl)-4-phenylquinoline
SMILESCc1cc(-c2cc(-c3ccccc3)c3ccccc3n2)c(C)o1
InChIInChI=1S/C21H17NO/c1-14-12-18(15(2)23-14)21-13-19(16-8-4-3-5-9-16)17-10-6-7-11-20(17)22-21/h3-13H,1-2H3
InChIKeyPLGOZBRZUCLSEV-UHFFFAOYSA-N
MW299.37 g/mol
LogP5.78
Rot. Bonds2

About 2-(2,5-dimethylfuran-3-yl)-4-phenylquinoline

2-(2,5-dimethylfuran-3-yl)-4-phenylquinoline (PubChem CID 2460701) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(2,5-dimethylfuran-3-yl)-4-phenylquinoline.

Molecular Properties

Compound Name2-(2,5-dimethylfuran-3-yl)-4-phenylquinoline
PubChem CID2460701
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name2-(2,5-dimethylfuran-3-yl)-4-phenylquinoline
SMILESCc1cc(-c2cc(-c3ccccc3)c3ccccc3n2)c(C)o1
InChIInChI=1S/C21H17NO/c1-14-12-18(15(2)23-14)21-13-19(16-8-4-3-5-9-16)17-10-6-7-11-20(17)22-21/h3-13H,1-2H3
InChIKeyPLGOZBRZUCLSEV-UHFFFAOYSA-N
XLogP5.78
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.37
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-3-phenylfuran
CID 598957
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
2-(2,4-dimethylphenyl)-4-phenylquinoline
CID 8966123
2,4-bis(4-phenylnaphthalen-1-yl)quinoline
CID 146334508
2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline
CID 86102330
2-(3,5-difluorophenyl)-4-phenylquinoline
CID 155627719
2-(2,3,4,5,6-pentafluorophenyl)-4-phenylquinoline
CID 15099821
7-methyl-2,4-diphenylquinoline
CID 13048584
CID 71229617
CID 71229617
4-phenyl-2-propylquinoline
CID 145370518
7-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 154716816
2-(4-cyclopropyloxyphenyl)-4-phenylquinoline
CID 135018396

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylfuran-3-yl)-4-phenylquinoline?
The IUPAC name of 2-(2,5-dimethylfuran-3-yl)-4-phenylquinoline (CID 2460701) is 2-(2,5-dimethylfuran-3-yl)-4-phenylquinoline.
What is the SMILES notation for 2-(2,5-dimethylfuran-3-yl)-4-phenylquinoline?
The canonical SMILES for 2-(2,5-dimethylfuran-3-yl)-4-phenylquinoline is Cc1cc(-c2cc(-c3ccccc3)c3ccccc3n2)c(C)o1.
What is the InChIKey of 2-(2,5-dimethylfuran-3-yl)-4-phenylquinoline?
The InChIKey is PLGOZBRZUCLSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c1-14-12-18(15(2)23-14)21-13-19(16-8-4-3-5-9-16)17-10-6-7-11-20(17)22-21/h3-13H,1-2H3.
What are the key properties of 2-(2,5-dimethylfuran-3-yl)-4-phenylquinoline?
2-(2,5-dimethylfuran-3-yl)-4-phenylquinoline has a molecular weight of 299.37 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylfuran-3-yl)-4-phenylquinoline is sourced from PubChem (CID 2460701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).