3-hydroxy-2-[4-[(2-methoxyquinolin-3-yl)methyl]phenyl]butanenitrile

C21H20N2O2 — CID 166457808

IUPAC3-hydroxy-2-[4-[(2-methoxyquinolin-3-yl)methyl]phenyl]butanenitrile
SMILESCOc1nc2ccccc2cc1Cc1ccc(C(C#N)C(C)O)cc1
InChIInChI=1S/C21H20N2O2/c1-14(24)19(13-22)16-9-7-15(8-10-16)11-18-12-17-5-3-4-6-20(17)23-21(18)25-2/h3-10,12,14,19,24H,11H2,1-2H3
InChIKeyHGHHMURYCJUZTI-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.82
Rot. Bonds5

About 3-hydroxy-2-[4-[(2-methoxyquinolin-3-yl)methyl]phenyl]butanenitrile

3-hydroxy-2-[4-[(2-methoxyquinolin-3-yl)methyl]phenyl]butanenitrile (PubChem CID 166457808) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-hydroxy-2-[4-[(2-methoxyquinolin-3-yl)methyl]phenyl]butanenitrile.

Molecular Properties

Compound Name3-hydroxy-2-[4-[(2-methoxyquinolin-3-yl)methyl]phenyl]butanenitrile
PubChem CID166457808
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name3-hydroxy-2-[4-[(2-methoxyquinolin-3-yl)methyl]phenyl]butanenitrile
SMILESCOc1nc2ccccc2cc1Cc1ccc(C(C#N)C(C)O)cc1
InChIInChI=1S/C21H20N2O2/c1-14(24)19(13-22)16-9-7-15(8-10-16)11-18-12-17-5-3-4-6-20(17)23-21(18)25-2/h3-10,12,14,19,24H,11H2,1-2H3
InChIKeyHGHHMURYCJUZTI-UHFFFAOYSA-N
XLogP3.82
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-2-[4-[(2-methoxyquinolin-3-yl)methyl]phenyl]butanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

methyl 4-[(2-methoxyquinolin-3-yl)methyl]benzoate
CID 166457894
3-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyquinoline
CID 166457860
2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol
CID 158310859
3-benzyl-2-methoxyquinolin-6-amine
CID 89382681
2-amino-1-(2-methoxyquinolin-3-yl)ethanone
CID 90036655
2-methoxy-3-(2-methoxyethylsulfonylmethyl)quinoline
CID 167959717
2-(3-ethyl-2-methoxyquinolin-7-yl)acetonitrile;methane
CID 164511422
1-(3-ethyl-2-methoxyquinolin-7-yl)butan-1-ol
CID 59393145
tert-butyl N-[[3-chloro-5-[(2-methoxyquinolin-3-yl)methyl]-2-pyridinyl]methyl]carbamate
CID 166457915
3-benzylquinoline-2-thiolate
CID 7383405
3-[4-(1-hydroxypropan-2-yl)phenyl]quinoline-2-carbonitrile
CID 69277469
3-[(3-bromo-1,2,4-triazol-1-yl)methyl]-2-methoxyquinoline
CID 167969042

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[4-[(2-methoxyquinolin-3-yl)methyl]phenyl]butanenitrile?
The IUPAC name of 3-hydroxy-2-[4-[(2-methoxyquinolin-3-yl)methyl]phenyl]butanenitrile (CID 166457808) is 3-hydroxy-2-[4-[(2-methoxyquinolin-3-yl)methyl]phenyl]butanenitrile.
What is the SMILES notation for 3-hydroxy-2-[4-[(2-methoxyquinolin-3-yl)methyl]phenyl]butanenitrile?
The canonical SMILES for 3-hydroxy-2-[4-[(2-methoxyquinolin-3-yl)methyl]phenyl]butanenitrile is COc1nc2ccccc2cc1Cc1ccc(C(C#N)C(C)O)cc1.
What is the InChIKey of 3-hydroxy-2-[4-[(2-methoxyquinolin-3-yl)methyl]phenyl]butanenitrile?
The InChIKey is HGHHMURYCJUZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-14(24)19(13-22)16-9-7-15(8-10-16)11-18-12-17-5-3-4-6-20(17)23-21(18)25-2/h3-10,12,14,19,24H,11H2,1-2H3.
What are the key properties of 3-hydroxy-2-[4-[(2-methoxyquinolin-3-yl)methyl]phenyl]butanenitrile?
3-hydroxy-2-[4-[(2-methoxyquinolin-3-yl)methyl]phenyl]butanenitrile has a molecular weight of 332.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[4-[(2-methoxyquinolin-3-yl)methyl]phenyl]butanenitrile is sourced from PubChem (CID 166457808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).