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

C23H21N5O — CID 166795352

IUPAC1-[(2R)-2-methyloxan-4-yl]-2-(pyridin-2-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
SMILESC[C@@H]1CC(n2c(Cc3ccccn3)nc3cnc4ccc(C#N)cc4c32)CCO1
InChIInChI=1S/C23H21N5O/c1-15-10-18(7-9-29-15)28-22(12-17-4-2-3-8-25-17)27-21-14-26-20-6-5-16(13-24)11-19(20)23(21)28/h2-6,8,11,14-15,18H,7,9-10,12H2,1H3/t15-,18?/m1/s1
InChIKeyPHHJLKCBJDSUBX-NNJIEVJOSA-N
MW383.46 g/mol
LogP4.18
Rot. Bonds3

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

1-[(2R)-2-methyloxan-4-yl]-2-(pyridin-2-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile (PubChem CID 166795352) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 1-[(2R)-2-methyloxan-4-yl]-2-(pyridin-2-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name1-[(2R)-2-methyloxan-4-yl]-2-(pyridin-2-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
PubChem CID166795352
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name1-[(2R)-2-methyloxan-4-yl]-2-(pyridin-2-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
SMILESC[C@@H]1CC(n2c(Cc3ccccn3)nc3cnc4ccc(C#N)cc4c32)CCO1
InChIInChI=1S/C23H21N5O/c1-15-10-18(7-9-29-15)28-22(12-17-4-2-3-8-25-17)27-21-14-26-20-6-5-16(13-24)11-19(20)23(21)28/h2-6,8,11,14-15,18H,7,9-10,12H2,1H3/t15-,18?/m1/s1
InChIKeyPHHJLKCBJDSUBX-NNJIEVJOSA-N
XLogP4.18
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methyloxan-4-yl]-2-(pyridin-2-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile?
The IUPAC name of 1-[(2R)-2-methyloxan-4-yl]-2-(pyridin-2-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile (CID 166795352) is 1-[(2R)-2-methyloxan-4-yl]-2-(pyridin-2-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile.
What is the SMILES notation for 1-[(2R)-2-methyloxan-4-yl]-2-(pyridin-2-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile?
The canonical SMILES for 1-[(2R)-2-methyloxan-4-yl]-2-(pyridin-2-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile is C[C@@H]1CC(n2c(Cc3ccccn3)nc3cnc4ccc(C#N)cc4c32)CCO1.
What is the InChIKey of 1-[(2R)-2-methyloxan-4-yl]-2-(pyridin-2-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile?
The InChIKey is PHHJLKCBJDSUBX-NNJIEVJOSA-N. The full InChI is InChI=1S/C23H21N5O/c1-15-10-18(7-9-29-15)28-22(12-17-4-2-3-8-25-17)27-21-14-26-20-6-5-16(13-24)11-19(20)23(21)28/h2-6,8,11,14-15,18H,7,9-10,12H2,1H3/t15-,18?/m1/s1.
What are the key properties of 1-[(2R)-2-methyloxan-4-yl]-2-(pyridin-2-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile?
1-[(2R)-2-methyloxan-4-yl]-2-(pyridin-2-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile has a molecular weight of 383.46 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyloxan-4-yl]-2-(pyridin-2-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile is sourced from PubChem (CID 166795352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).