[6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone

C22H22ClN3O2 — CID 53333971

IUPAC[6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(CNc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc23)c1
InChIInChI=1S/C22H22ClN3O2/c1-15-3-2-4-16(11-15)13-25-21-18-12-17(23)5-6-20(18)24-14-19(21)22(27)26-7-9-28-10-8-26/h2-6,11-12,14H,7-10,13H2,1H3,(H,24,25)
InChIKeyRJSIHNMOLILVNN-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.28
Rot. Bonds4

About [6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone

[6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone (PubChem CID 53333971) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is [6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
PubChem CID53333971
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name[6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(CNc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc23)c1
InChIInChI=1S/C22H22ClN3O2/c1-15-3-2-4-16(11-15)13-25-21-18-12-17(23)5-6-20(18)24-14-19(21)22(27)26-7-9-28-10-8-26/h2-6,11-12,14H,7-10,13H2,1H3,(H,24,25)
InChIKeyRJSIHNMOLILVNN-UHFFFAOYSA-N
XLogP4.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone 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

[6-chloro-4-[(3-ethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333938
[6-chloro-4-[(3,4-dimethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333943
[4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001489
[6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825088
[4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53333912
[2-chloro-4-[(3-methylphenyl)methylamino]phenyl]-morpholin-4-ylmethanone
CID 60538980
[4-chloro-2-[(3-methylphenyl)methylamino]phenyl]-piperidin-1-ylmethanone
CID 52703546
[6-fluoro-4-[(4-methylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 53333974
[4-(2-chloro-4-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 27371221
[4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 53001687
6-chloro-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylic acid;hydrochloride
CID 20982491
[4-(4-bromophenyl)sulfonyl-6-chloroquinolin-3-yl]-morpholin-4-ylmethanone
CID 71686404

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone (CID 53333971) is [6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone is Cc1cccc(CNc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc23)c1.
What is the InChIKey of [6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is RJSIHNMOLILVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-15-3-2-4-16(11-15)13-25-21-18-12-17(23)5-6-20(18)24-14-19(21)22(27)26-7-9-28-10-8-26/h2-6,11-12,14H,7-10,13H2,1H3,(H,24,25).
What are the key properties of [6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone?
[6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 395.89 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53333971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).