1-cyclobutyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile

C20H17N5O — CID 126691412

IUPAC1-cyclobutyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile
SMILESCc1cc(Cc2nc3cnc4ccc(C#N)cc4c3n2C2CCC2)no1
InChIInChI=1S/C20H17N5O/c1-12-7-14(24-26-12)9-19-23-18-11-22-17-6-5-13(10-21)8-16(17)20(18)25(19)15-3-2-4-15/h5-8,11,15H,2-4,9H2,1H3
InChIKeySSTZXYPTLUYABM-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.07
Rot. Bonds3

About 1-cyclobutyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile

1-cyclobutyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile (PubChem CID 126691412) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-cyclobutyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name1-cyclobutyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile
PubChem CID126691412
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name1-cyclobutyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile
SMILESCc1cc(Cc2nc3cnc4ccc(C#N)cc4c3n2C2CCC2)no1
InChIInChI=1S/C20H17N5O/c1-12-7-14(24-26-12)9-19-23-18-11-22-17-6-5-13(10-21)8-16(17)20(18)25(19)15-3-2-4-15/h5-8,11,15H,2-4,9H2,1H3
InChIKeySSTZXYPTLUYABM-UHFFFAOYSA-N
XLogP4.07
TPSA80.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-cyclobutyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile with MolForge

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Related Compounds

3-[(1-cyclopentyl-8-isocyanoimidazo[4,5-c]quinolin-2-yl)methyl]-5-methyl-1,2-oxazole
CID 140778496
2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile
CID 166795435
1-[(2S,6R)-2,6-dimethyloxan-4-yl]-2-(1,3-thiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 126666714
4-[8-isocyano-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]-1-methylcyclohexan-1-ol
CID 140778523
1-[(2R)-2-methyloxan-4-yl]-2-(pyridin-2-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 166795352
[(2S)-4-[8-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol
CID 126712399
1-[(2R,4R)-2-methyloxan-4-yl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 126691119
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-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 126666679
3-[[8-chloro-1-[(4S)-3,3-difluorooxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2-oxazole
CID 142423810
2-[[(3-amino-2-methoxyprop-2-enylidene)amino]methyl]-1-(oxan-4-yl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 142423967

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile?
The IUPAC name of 1-cyclobutyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile (CID 126691412) is 1-cyclobutyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile.
What is the SMILES notation for 1-cyclobutyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile?
The canonical SMILES for 1-cyclobutyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile is Cc1cc(Cc2nc3cnc4ccc(C#N)cc4c3n2C2CCC2)no1.
What is the InChIKey of 1-cyclobutyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile?
The InChIKey is SSTZXYPTLUYABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-12-7-14(24-26-12)9-19-23-18-11-22-17-6-5-13(10-21)8-16(17)20(18)25(19)15-3-2-4-15/h5-8,11,15H,2-4,9H2,1H3.
What are the key properties of 1-cyclobutyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile?
1-cyclobutyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile has a molecular weight of 343.39 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile is sourced from PubChem (CID 126691412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).