4-[1-(2-fluorophenyl)-2-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole

C24H21FN4O — CID 70664142

IUPAC4-[1-(2-fluorophenyl)-2-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2c(c1)ncc1nc(C(C)C)n(-c3ccccc3F)c12
InChIInChI=1S/C24H21FN4O/c1-13(2)24-27-20-12-26-19-11-16(22-14(3)28-30-15(22)4)9-10-17(19)23(20)29(24)21-8-6-5-7-18(21)25/h5-13H,1-4H3
InChIKeyNHAXNOWMMFKDMF-UHFFFAOYSA-N
MW400.46 g/mol
LogP6.11
Rot. Bonds3

About 4-[1-(2-fluorophenyl)-2-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole

4-[1-(2-fluorophenyl)-2-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 70664142) has the molecular formula C24H21FN4O and a molecular weight of 400.46 g/mol. Its IUPAC name is 4-[1-(2-fluorophenyl)-2-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-(2-fluorophenyl)-2-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID70664142
Molecular FormulaC24H21FN4O
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC Name4-[1-(2-fluorophenyl)-2-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2c(c1)ncc1nc(C(C)C)n(-c3ccccc3F)c12
InChIInChI=1S/C24H21FN4O/c1-13(2)24-27-20-12-26-19-11-16(22-14(3)28-30-15(22)4)9-10-17(19)23(20)29(24)21-8-6-5-7-18(21)25/h5-13H,1-4H3
InChIKeyNHAXNOWMMFKDMF-UHFFFAOYSA-N
XLogP6.11
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.46
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methylphenyl)-3H-imidazo[4,5-c]quinolin-2-one
CID 52933810
7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-one
CID 121424059
4-(1-benzyltriazolo[4,5-c]quinolin-7-yl)-3,5-dimethyl-1,2-oxazole
CID 70664302
7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxylic acid
CID 71450297
7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxamide
CID 70681167
1-(3-chlorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one
CID 70664219
4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
CID 90732795
[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]boronic acid
CID 140959618
4-[2,8-dimethoxy-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 122705179
4-[8-methoxy-2-(oxan-4-yl)-1-[2-(trifluoromethoxy)phenyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 70663944
4-[3-iodo-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole
CID 118937079
3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole
CID 58670338

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluorophenyl)-2-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-(2-fluorophenyl)-2-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (CID 70664142) is 4-[1-(2-fluorophenyl)-2-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-(2-fluorophenyl)-2-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-(2-fluorophenyl)-2-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1ccc2c(c1)ncc1nc(C(C)C)n(-c3ccccc3F)c12.
What is the InChIKey of 4-[1-(2-fluorophenyl)-2-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is NHAXNOWMMFKDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O/c1-13(2)24-27-20-12-26-19-11-16(22-14(3)28-30-15(22)4)9-10-17(19)23(20)29(24)21-8-6-5-7-18(21)25/h5-13H,1-4H3.
What are the key properties of 4-[1-(2-fluorophenyl)-2-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-(2-fluorophenyl)-2-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 400.46 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluorophenyl)-2-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 70664142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).