1-[(2R,4R)-2-methyloxan-4-yl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile

C20H18N6OS — CID 126691119

IUPAC1-[(2R,4R)-2-methyloxan-4-yl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
SMILESC[C@@H]1C[C@H](n2c(Cc3csnn3)nc3cnc4ccc(C#N)cc4c32)CCO1
InChIInChI=1S/C20H18N6OS/c1-12-6-15(4-5-27-12)26-19(8-14-11-28-25-24-14)23-18-10-22-17-3-2-13(9-21)7-16(17)20(18)26/h2-3,7,10-12,15H,4-6,8H2,1H3/t12-,15-/m1/s1
InChIKeyFXSAZOTVORFWCB-IUODEOHRSA-N
MW390.47 g/mol
LogP3.64
Rot. Bonds3

About 1-[(2R,4R)-2-methyloxan-4-yl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile

1-[(2R,4R)-2-methyloxan-4-yl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile (PubChem CID 126691119) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is 1-[(2R,4R)-2-methyloxan-4-yl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name1-[(2R,4R)-2-methyloxan-4-yl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
PubChem CID126691119
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC Name1-[(2R,4R)-2-methyloxan-4-yl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
SMILESC[C@@H]1C[C@H](n2c(Cc3csnn3)nc3cnc4ccc(C#N)cc4c32)CCO1
InChIInChI=1S/C20H18N6OS/c1-12-6-15(4-5-27-12)26-19(8-14-11-28-25-24-14)23-18-10-22-17-3-2-13(9-21)7-16(17)20(18)26/h2-3,7,10-12,15H,4-6,8H2,1H3/t12-,15-/m1/s1
InChIKeyFXSAZOTVORFWCB-IUODEOHRSA-N
XLogP3.64
TPSA89.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]-8-(trifluoromethyl)imidazo[4,5-c]quinoline
CID 126691326
1-[(2R,4R)-2-methyloxan-4-yl]-2-[(1-methyltriazol-4-yl)methyl]-8-(trifluoromethyl)imidazo[4,5-c]quinoline
CID 135325094
2-[(6-methylpyrimidin-4-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 135325140
1-[(1R,3S)-3-fluorocyclopentyl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 155558971
US11161844, Example 21
CID 135325007
US11312713, Example 76
CID 135325085
US11312713, Example 81
CID 135325096
US11161844, Example 39
CID 142423669
US11161844, Example 15
CID 142423687
1-(3,3-Difluorooxan-4-yl)-2-(3-methoxycyclobutyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 142423705
US11161844, Example 14
CID 142423714
US11161844, Example 20
CID 142423726

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-2-methyloxan-4-yl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile?
The IUPAC name of 1-[(2R,4R)-2-methyloxan-4-yl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile (CID 126691119) is 1-[(2R,4R)-2-methyloxan-4-yl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile.
What is the SMILES notation for 1-[(2R,4R)-2-methyloxan-4-yl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile?
The canonical SMILES for 1-[(2R,4R)-2-methyloxan-4-yl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile is C[C@@H]1C[C@H](n2c(Cc3csnn3)nc3cnc4ccc(C#N)cc4c32)CCO1.
What is the InChIKey of 1-[(2R,4R)-2-methyloxan-4-yl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile?
The InChIKey is FXSAZOTVORFWCB-IUODEOHRSA-N. The full InChI is InChI=1S/C20H18N6OS/c1-12-6-15(4-5-27-12)26-19(8-14-11-28-25-24-14)23-18-10-22-17-3-2-13(9-21)7-16(17)20(18)26/h2-3,7,10-12,15H,4-6,8H2,1H3/t12-,15-/m1/s1.
What are the key properties of 1-[(2R,4R)-2-methyloxan-4-yl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile?
1-[(2R,4R)-2-methyloxan-4-yl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile has a molecular weight of 390.47 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-2-methyloxan-4-yl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile is sourced from PubChem (CID 126691119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).