3-[(8-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-5-methyl-1,2-oxazole

C15H11FN4O — CID 126712345

IUPAC3-[(8-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(Cc2nc3c(cnc4ccc(F)cc43)[nH]2)no1
InChIInChI=1S/C15H11FN4O/c1-8-4-10(20-21-8)6-14-18-13-7-17-12-3-2-9(16)5-11(12)15(13)19-14/h2-5,7H,6H2,1H3,(H,18,19)
InChIKeyBSFXNWLRMJYBDM-UHFFFAOYSA-N
MW282.28 g/mol
LogP3.14
Rot. Bonds2

About 3-[(8-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-5-methyl-1,2-oxazole

3-[(8-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-5-methyl-1,2-oxazole (PubChem CID 126712345) has the molecular formula C15H11FN4O and a molecular weight of 282.28 g/mol. Its IUPAC name is 3-[(8-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(8-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-5-methyl-1,2-oxazole
PubChem CID126712345
Molecular FormulaC15H11FN4O
Molecular Weight282.28 g/mol
Exact Mass282.09
IUPAC Name3-[(8-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(Cc2nc3c(cnc4ccc(F)cc43)[nH]2)no1
InChIInChI=1S/C15H11FN4O/c1-8-4-10(20-21-8)6-14-18-13-7-17-12-3-2-9(16)5-11(12)15(13)19-14/h2-5,7H,6H2,1H3,(H,18,19)
InChIKeyBSFXNWLRMJYBDM-UHFFFAOYSA-N
XLogP3.14
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 126666679
3-(3H-imidazo[4,5-c]quinolin-2-ylmethyl)-5-(trifluoromethyl)-1,2-oxazole
CID 126666676
8-chloro-2-[(1-methylpyrazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline
CID 126712421
8-fluoro-3H-imidazo[4,5-c]quinoline
CID 14621814
2-[(5-methylsulfonyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 170582675
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
8-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-3H-imidazo[4,5-c]quinoline
CID 126712422
2-[(3-phenoxyphenyl)methyl]-3H-imidazo[4,5-c]quinoline
CID 163399793
CID 89270748
CID 89270748
3-[(2-bromo-4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole
CID 28782461
3-[[1-[(2S)-1-fluoropropan-2-yl]-8-isocyanoimidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2-oxazole;formic acid
CID 160779461
5-methyl-3-[(2-propan-2-yl-1H-indol-6-yl)methyl]-1,2-oxazole
CID 171518116

Frequently Asked Questions

What is the IUPAC name of 3-[(8-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(8-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-5-methyl-1,2-oxazole (CID 126712345) is 3-[(8-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(8-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(8-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-5-methyl-1,2-oxazole is Cc1cc(Cc2nc3c(cnc4ccc(F)cc43)[nH]2)no1.
What is the InChIKey of 3-[(8-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-5-methyl-1,2-oxazole?
The InChIKey is BSFXNWLRMJYBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O/c1-8-4-10(20-21-8)6-14-18-13-7-17-12-3-2-9(16)5-11(12)15(13)19-14/h2-5,7H,6H2,1H3,(H,18,19).
What are the key properties of 3-[(8-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-5-methyl-1,2-oxazole?
3-[(8-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-5-methyl-1,2-oxazole has a molecular weight of 282.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 126712345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).