4-chloro-7-(2-morpholin-4-ylethoxy)-6-phenylmethoxyquinoline-3-carbonitrile

C23H22ClN3O3 — CID 21035033

IUPAC4-chloro-7-(2-morpholin-4-ylethoxy)-6-phenylmethoxyquinoline-3-carbonitrile
SMILESN#Cc1cnc2cc(OCCN3CCOCC3)c(OCc3ccccc3)cc2c1Cl
InChIInChI=1S/C23H22ClN3O3/c24-23-18(14-25)15-26-20-13-22(29-11-8-27-6-9-28-10-7-27)21(12-19(20)23)30-16-17-4-2-1-3-5-17/h1-5,12-13,15H,6-11,16H2
InChIKeyXDVDPPSQRMNOMD-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.05
Rot. Bonds7

About 4-chloro-7-(2-morpholin-4-ylethoxy)-6-phenylmethoxyquinoline-3-carbonitrile

4-chloro-7-(2-morpholin-4-ylethoxy)-6-phenylmethoxyquinoline-3-carbonitrile (PubChem CID 21035033) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is 4-chloro-7-(2-morpholin-4-ylethoxy)-6-phenylmethoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-7-(2-morpholin-4-ylethoxy)-6-phenylmethoxyquinoline-3-carbonitrile
PubChem CID21035033
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC Name4-chloro-7-(2-morpholin-4-ylethoxy)-6-phenylmethoxyquinoline-3-carbonitrile
SMILESN#Cc1cnc2cc(OCCN3CCOCC3)c(OCc3ccccc3)cc2c1Cl
InChIInChI=1S/C23H22ClN3O3/c24-23-18(14-25)15-26-20-13-22(29-11-8-27-6-9-28-10-7-27)21(12-19(20)23)30-16-17-4-2-1-3-5-17/h1-5,12-13,15H,6-11,16H2
InChIKeyXDVDPPSQRMNOMD-UHFFFAOYSA-N
XLogP4.05
TPSA67.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-chloro-7-(2-morpholin-4-ylethoxy)-6-phenylmethoxyquinoline-3-carbonitrile 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

4-chloro-7-(2-morpholin-4-ylethoxy)-6-phenylmethoxyquinoline-3-carbonitrile;ethane
CID 142143781
4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine
CID 130178723
6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
CID 149186313
4-(4-chloro-2-fluoroanilino)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
CID 10140112
4-chloro-6,7-diethoxyquinoline-3-carbonitrile
CID 10778872
N-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenyl]benzenesulfonamide
CID 59095490
4-chloro-7-(4-chlorobutoxy)-6-methoxyquinoline-3-carbonitrile
CID 11727096
4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-6-(2-morpholin-4-ylethoxy)-7-piperidin-1-ylquinoline-3-carbonitrile
CID 24778086
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl] cyanate
CID 143015562
3-(4-aminophenoxy)benzamide;4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile;3-[4-[[7-(3-chloropropoxy)-3-cyano-6-methoxyquinolin-4-yl]amino]phenoxy]benzamide;3-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenoxy]benzamide;ethyl 3-(4-aminophenoxy)benzoate;methane
CID 157306194
3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile
CID 22685973
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]morpholine
CID 868523

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(2-morpholin-4-ylethoxy)-6-phenylmethoxyquinoline-3-carbonitrile?
The IUPAC name of 4-chloro-7-(2-morpholin-4-ylethoxy)-6-phenylmethoxyquinoline-3-carbonitrile (CID 21035033) is 4-chloro-7-(2-morpholin-4-ylethoxy)-6-phenylmethoxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-chloro-7-(2-morpholin-4-ylethoxy)-6-phenylmethoxyquinoline-3-carbonitrile?
The canonical SMILES for 4-chloro-7-(2-morpholin-4-ylethoxy)-6-phenylmethoxyquinoline-3-carbonitrile is N#Cc1cnc2cc(OCCN3CCOCC3)c(OCc3ccccc3)cc2c1Cl.
What is the InChIKey of 4-chloro-7-(2-morpholin-4-ylethoxy)-6-phenylmethoxyquinoline-3-carbonitrile?
The InChIKey is XDVDPPSQRMNOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3/c24-23-18(14-25)15-26-20-13-22(29-11-8-27-6-9-28-10-7-27)21(12-19(20)23)30-16-17-4-2-1-3-5-17/h1-5,12-13,15H,6-11,16H2.
What are the key properties of 4-chloro-7-(2-morpholin-4-ylethoxy)-6-phenylmethoxyquinoline-3-carbonitrile?
4-chloro-7-(2-morpholin-4-ylethoxy)-6-phenylmethoxyquinoline-3-carbonitrile has a molecular weight of 423.90 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(2-morpholin-4-ylethoxy)-6-phenylmethoxyquinoline-3-carbonitrile is sourced from PubChem (CID 21035033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).