2-[4-[(dimethylamino)methyl]phenyl]-4-(morpholin-4-ylmethyl)quinoline-7-carbonitrile

C24H26N4O — CID 171492199

IUPAC2-[4-[(dimethylamino)methyl]phenyl]-4-(morpholin-4-ylmethyl)quinoline-7-carbonitrile
SMILESCN(C)Cc1ccc(-c2cc(CN3CCOCC3)c3ccc(C#N)cc3n2)cc1
InChIInChI=1S/C24H26N4O/c1-27(2)16-18-3-6-20(7-4-18)23-14-21(17-28-9-11-29-12-10-28)22-8-5-19(15-25)13-24(22)26-23/h3-8,13-14H,9-12,16-17H2,1-2H3
InChIKeyYJWSLCCVFDBRNX-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.67
Rot. Bonds5

About 2-[4-[(dimethylamino)methyl]phenyl]-4-(morpholin-4-ylmethyl)quinoline-7-carbonitrile

2-[4-[(dimethylamino)methyl]phenyl]-4-(morpholin-4-ylmethyl)quinoline-7-carbonitrile (PubChem CID 171492199) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]phenyl]-4-(morpholin-4-ylmethyl)quinoline-7-carbonitrile.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]phenyl]-4-(morpholin-4-ylmethyl)quinoline-7-carbonitrile
PubChem CID171492199
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2-[4-[(dimethylamino)methyl]phenyl]-4-(morpholin-4-ylmethyl)quinoline-7-carbonitrile
SMILESCN(C)Cc1ccc(-c2cc(CN3CCOCC3)c3ccc(C#N)cc3n2)cc1
InChIInChI=1S/C24H26N4O/c1-27(2)16-18-3-6-20(7-4-18)23-14-21(17-28-9-11-29-12-10-28)22-8-5-19(15-25)13-24(22)26-23/h3-8,13-14H,9-12,16-17H2,1-2H3
InChIKeyYJWSLCCVFDBRNX-UHFFFAOYSA-N
XLogP3.67
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(dimethylamino)methyl]phenyl]-4-(morpholin-4-ylmethyl)quinoline-7-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 2-[4-[(dimethylamino)methyl]phenyl]-4-(morpholin-4-ylmethyl)quinoline-7-carbonitrile?
The IUPAC name of 2-[4-[(dimethylamino)methyl]phenyl]-4-(morpholin-4-ylmethyl)quinoline-7-carbonitrile (CID 171492199) is 2-[4-[(dimethylamino)methyl]phenyl]-4-(morpholin-4-ylmethyl)quinoline-7-carbonitrile.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]phenyl]-4-(morpholin-4-ylmethyl)quinoline-7-carbonitrile?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]phenyl]-4-(morpholin-4-ylmethyl)quinoline-7-carbonitrile is CN(C)Cc1ccc(-c2cc(CN3CCOCC3)c3ccc(C#N)cc3n2)cc1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]phenyl]-4-(morpholin-4-ylmethyl)quinoline-7-carbonitrile?
The InChIKey is YJWSLCCVFDBRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-27(2)16-18-3-6-20(7-4-18)23-14-21(17-28-9-11-29-12-10-28)22-8-5-19(15-25)13-24(22)26-23/h3-8,13-14H,9-12,16-17H2,1-2H3.
What are the key properties of 2-[4-[(dimethylamino)methyl]phenyl]-4-(morpholin-4-ylmethyl)quinoline-7-carbonitrile?
2-[4-[(dimethylamino)methyl]phenyl]-4-(morpholin-4-ylmethyl)quinoline-7-carbonitrile has a molecular weight of 386.50 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]phenyl]-4-(morpholin-4-ylmethyl)quinoline-7-carbonitrile is sourced from PubChem (CID 171492199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).