3-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-2-methylpropanenitrile

C20H21ClN4O — CID 142423982

IUPAC3-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-2-methylpropanenitrile
SMILESCC(C#N)Cc1nc2cnc3ccc(Cl)cc3c2n1[C@@H]1CCO[C@H](C)C1
InChIInChI=1S/C20H21ClN4O/c1-12(10-22)7-19-24-18-11-23-17-4-3-14(21)9-16(17)20(18)25(19)15-5-6-26-13(2)8-15/h3-4,9,11-13,15H,5-8H2,1-2H3/t12?,13-,15-/m1/s1
InChIKeyWLCCPOUANYCQHN-JYRZLJSNSA-N
MW368.87 g/mol
LogP4.68
Rot. Bonds3

About 3-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-2-methylpropanenitrile

3-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-2-methylpropanenitrile (PubChem CID 142423982) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 3-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-2-methylpropanenitrile
PubChem CID142423982
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name3-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-2-methylpropanenitrile
SMILESCC(C#N)Cc1nc2cnc3ccc(Cl)cc3c2n1[C@@H]1CCO[C@H](C)C1
InChIInChI=1S/C20H21ClN4O/c1-12(10-22)7-19-24-18-11-23-17-4-3-14(21)9-16(17)20(18)25(19)15-5-6-26-13(2)8-15/h3-4,9,11-13,15H,5-8H2,1-2H3/t12?,13-,15-/m1/s1
InChIKeyWLCCPOUANYCQHN-JYRZLJSNSA-N
XLogP4.68
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
3-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole
CID 126666729
8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[[5-(trideuteriomethyl)pyrazin-2-yl]methyl]imidazo[4,5-c]quinoline
CID 154031581
2-[(2R,4S)-4-(8-chloro-2-ethylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile
CID 142423799
2-[4-(8-chloro-2-methylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile
CID 142423887
1-[(2R)-2-methyloxan-4-yl]-2-(pyridin-2-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 166795352
6-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole;formic acid
CID 160877534
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
[(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

Frequently Asked Questions

What is the IUPAC name of 3-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-2-methylpropanenitrile?
The IUPAC name of 3-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-2-methylpropanenitrile (CID 142423982) is 3-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-2-methylpropanenitrile.
What is the SMILES notation for 3-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-2-methylpropanenitrile?
The canonical SMILES for 3-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-2-methylpropanenitrile is CC(C#N)Cc1nc2cnc3ccc(Cl)cc3c2n1[C@@H]1CCO[C@H](C)C1.
What is the InChIKey of 3-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-2-methylpropanenitrile?
The InChIKey is WLCCPOUANYCQHN-JYRZLJSNSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-12(10-22)7-19-24-18-11-23-17-4-3-14(21)9-16(17)20(18)25(19)15-5-6-26-13(2)8-15/h3-4,9,11-13,15H,5-8H2,1-2H3/t12?,13-,15-/m1/s1.
What are the key properties of 3-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-2-methylpropanenitrile?
3-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-2-methylpropanenitrile has a molecular weight of 368.87 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-2-methylpropanenitrile is sourced from PubChem (CID 142423982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).