8-cyclopropyl-2-(cyclopropylsulfonylmethyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline

C23H27N3O3S — CID 170582929

IUPAC8-cyclopropyl-2-(cyclopropylsulfonylmethyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline
SMILESC[C@@H]1CC(n2c(CS(=O)(=O)C3CC3)nc3cnc4ccc(C5CC5)cc4c32)CCO1
InChIInChI=1S/C23H27N3O3S/c1-14-10-17(8-9-29-14)26-22(13-30(27,28)18-5-6-18)25-21-12-24-20-7-4-16(15-2-3-15)11-19(20)23(21)26/h4,7,11-12,14-15,17-18H,2-3,5-6,8-10,13H2,1H3/t14-,17?/m1/s1
InChIKeyPZFRJZVEDLJEQQ-XPCCGILXSA-N
MW425.55 g/mol
LogP4.28
Rot. Bonds5

About 8-cyclopropyl-2-(cyclopropylsulfonylmethyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline

8-cyclopropyl-2-(cyclopropylsulfonylmethyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline (PubChem CID 170582929) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 8-cyclopropyl-2-(cyclopropylsulfonylmethyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name8-cyclopropyl-2-(cyclopropylsulfonylmethyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline
PubChem CID170582929
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name8-cyclopropyl-2-(cyclopropylsulfonylmethyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline
SMILESC[C@@H]1CC(n2c(CS(=O)(=O)C3CC3)nc3cnc4ccc(C5CC5)cc4c32)CCO1
InChIInChI=1S/C23H27N3O3S/c1-14-10-17(8-9-29-14)26-22(13-30(27,28)18-5-6-18)25-21-12-24-20-7-4-16(15-2-3-15)11-19(20)23(21)26/h4,7,11-12,14-15,17-18H,2-3,5-6,8-10,13H2,1H3/t14-,17?/m1/s1
InChIKeyPZFRJZVEDLJEQQ-XPCCGILXSA-N
XLogP4.28
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-cyclopropyl-2-(cyclopropylsulfonylmethyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline with MolForge

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Related Compounds

2-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]acetonitrile
CID 126666563
8-chloro-1-[(2R)-2-methyloxan-4-yl]-2-[(5-methyl-2-pyridinyl)methyl]imidazo[4,5-c]quinoline
CID 126712298
8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline
CID 126666578
2-[8-bromo-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-cyclopropylacetamide
CID 170338188
3-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole
CID 126666729
3-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-2-methylpropanenitrile
CID 142423982
8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(4-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline
CID 126682230
4-[[8-fluoro-1-[(2S,4S)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole
CID 126666716
2-cyclopropyl-4-[[8-isocyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-oxazole;formic acid
CID 158622591
8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[[5-(trideuteriomethyl)pyrazin-2-yl]methyl]imidazo[4,5-c]quinoline
CID 154031581
1-[(2R,4R)-2-methyloxan-4-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 170583011
1-[(2R)-2-methyloxan-4-yl]-2-(pyridin-2-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 166795352

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-2-(cyclopropylsulfonylmethyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline?
The IUPAC name of 8-cyclopropyl-2-(cyclopropylsulfonylmethyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline (CID 170582929) is 8-cyclopropyl-2-(cyclopropylsulfonylmethyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 8-cyclopropyl-2-(cyclopropylsulfonylmethyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline?
The canonical SMILES for 8-cyclopropyl-2-(cyclopropylsulfonylmethyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline is C[C@@H]1CC(n2c(CS(=O)(=O)C3CC3)nc3cnc4ccc(C5CC5)cc4c32)CCO1.
What is the InChIKey of 8-cyclopropyl-2-(cyclopropylsulfonylmethyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline?
The InChIKey is PZFRJZVEDLJEQQ-XPCCGILXSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-14-10-17(8-9-29-14)26-22(13-30(27,28)18-5-6-18)25-21-12-24-20-7-4-16(15-2-3-15)11-19(20)23(21)26/h4,7,11-12,14-15,17-18H,2-3,5-6,8-10,13H2,1H3/t14-,17?/m1/s1.
What are the key properties of 8-cyclopropyl-2-(cyclopropylsulfonylmethyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline?
8-cyclopropyl-2-(cyclopropylsulfonylmethyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline has a molecular weight of 425.55 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2-(cyclopropylsulfonylmethyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 170582929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).