2-(3-fluoro-3-methylcyclobutyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile

C22H23FN4O — CID 162679702

IUPAC2-(3-fluoro-3-methylcyclobutyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile
SMILESC[C@@H]1CC(n2c(C3CC(C)(F)C3)nc3cnc4ccc(C#N)cc4c32)CCO1
InChIInChI=1S/C22H23FN4O/c1-13-7-16(5-6-28-13)27-20-17-8-14(11-24)3-4-18(17)25-12-19(20)26-21(27)15-9-22(2,23)10-15/h3-4,8,12-13,15-16H,5-7,9-10H2,1-2H3/t13-,15?,16?,22?/m1/s1
InChIKeyIFVYRSNHWZYKPO-ORJIMVHQSA-N
MW378.45 g/mol
LogP4.80
Rot. Bonds2

About 2-(3-fluoro-3-methylcyclobutyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile

2-(3-fluoro-3-methylcyclobutyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile (PubChem CID 162679702) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(3-fluoro-3-methylcyclobutyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name2-(3-fluoro-3-methylcyclobutyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile
PubChem CID162679702
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name2-(3-fluoro-3-methylcyclobutyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile
SMILESC[C@@H]1CC(n2c(C3CC(C)(F)C3)nc3cnc4ccc(C#N)cc4c32)CCO1
InChIInChI=1S/C22H23FN4O/c1-13-7-16(5-6-28-13)27-20-17-8-14(11-24)3-4-18(17)25-12-19(20)26-21(27)15-9-22(2,23)10-15/h3-4,8,12-13,15-16H,5-7,9-10H2,1-2H3/t13-,15?,16?,22?/m1/s1
InChIKeyIFVYRSNHWZYKPO-ORJIMVHQSA-N
XLogP4.80
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-methyloxan-4-yl]-2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 170389076
2-hydrazinyl-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 176652177
1-(2,2-dimethyloxan-4-yl)-2-(3-fluorocyclopentyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 142423669
1-[(2R)-2-methyloxan-4-yl]-2-(pyridin-2-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 166795352
1-[(2R,4R)-2-methyloxan-4-yl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 126691119
1-[(2R,4R)-2-methyloxan-4-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 170583011
2-[8-cyano-1-(2-methyloxan-4-yl)imidazo[4,5-c]quinolin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 170583039
2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(1-pyrimidin-2-ylcyclopropyl)acetamide
CID 176873246
3-[5-ethenyl-2-(3-fluoro-3-methylcyclobutyl)-3-[(2R,4R)-2-methyloxan-4-yl]imidazol-4-yl]-4-methylbenzonitrile
CID 142423640
2-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 126691397
2-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 126691396
2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-pyrimidin-5-ylacetamide
CID 176873088

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-3-methylcyclobutyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile?
The IUPAC name of 2-(3-fluoro-3-methylcyclobutyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile (CID 162679702) is 2-(3-fluoro-3-methylcyclobutyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile.
What is the SMILES notation for 2-(3-fluoro-3-methylcyclobutyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile?
The canonical SMILES for 2-(3-fluoro-3-methylcyclobutyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile is C[C@@H]1CC(n2c(C3CC(C)(F)C3)nc3cnc4ccc(C#N)cc4c32)CCO1.
What is the InChIKey of 2-(3-fluoro-3-methylcyclobutyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile?
The InChIKey is IFVYRSNHWZYKPO-ORJIMVHQSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-13-7-16(5-6-28-13)27-20-17-8-14(11-24)3-4-18(17)25-12-19(20)26-21(27)15-9-22(2,23)10-15/h3-4,8,12-13,15-16H,5-7,9-10H2,1-2H3/t13-,15?,16?,22?/m1/s1.
What are the key properties of 2-(3-fluoro-3-methylcyclobutyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile?
2-(3-fluoro-3-methylcyclobutyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile has a molecular weight of 378.45 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-3-methylcyclobutyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile is sourced from PubChem (CID 162679702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).