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

C18H17ClN4O — CID 126666563

IUPAC2-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]acetonitrile
SMILESC[C@@H]1C[C@H](n2c(CC#N)nc3cnc4ccc(Cl)cc4c32)CCO1
InChIInChI=1S/C18H17ClN4O/c1-11-8-13(5-7-24-11)23-17(4-6-20)22-16-10-21-15-3-2-12(19)9-14(15)18(16)23/h2-3,9-11,13H,4-5,7-8H2,1H3/t11-,13-/m1/s1
InChIKeyDTHFGBJAEWIXKW-DGCLKSJQSA-N
MW340.81 g/mol
LogP4.04
Rot. Bonds2

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

2-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]acetonitrile (PubChem CID 126666563) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]acetonitrile
PubChem CID126666563
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name2-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]acetonitrile
SMILESC[C@@H]1C[C@H](n2c(CC#N)nc3cnc4ccc(Cl)cc4c32)CCO1
InChIInChI=1S/C18H17ClN4O/c1-11-8-13(5-7-24-11)23-17(4-6-20)22-16-10-21-15-3-2-12(19)9-14(15)18(16)23/h2-3,9-11,13H,4-5,7-8H2,1H3/t11-,13-/m1/s1
InChIKeyDTHFGBJAEWIXKW-DGCLKSJQSA-N
XLogP4.04
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]acetonitrile?
The IUPAC name of 2-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]acetonitrile (CID 126666563) is 2-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]acetonitrile.
What is the SMILES notation for 2-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]acetonitrile?
The canonical SMILES for 2-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]acetonitrile is C[C@@H]1C[C@H](n2c(CC#N)nc3cnc4ccc(Cl)cc4c32)CCO1.
What is the InChIKey of 2-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]acetonitrile?
The InChIKey is DTHFGBJAEWIXKW-DGCLKSJQSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-11-8-13(5-7-24-11)23-17(4-6-20)22-16-10-21-15-3-2-12(19)9-14(15)18(16)23/h2-3,9-11,13H,4-5,7-8H2,1H3/t11-,13-/m1/s1.
What are the key properties of 2-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]acetonitrile?
2-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]acetonitrile has a molecular weight of 340.81 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]acetonitrile is sourced from PubChem (CID 126666563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).