[4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone

C21H20ClN3O2 — CID 53001489

IUPAC[4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc2ccccc2c1NCc1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C21H20ClN3O2/c22-16-7-5-15(6-8-16)13-24-20-17-3-1-2-4-19(17)23-14-18(20)21(26)25-9-11-27-12-10-25/h1-8,14H,9-13H2,(H,23,24)
InChIKeyUEJMBZOJIVTSIE-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.97
Rot. Bonds4

About [4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone

[4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone (PubChem CID 53001489) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
PubChem CID53001489
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name[4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc2ccccc2c1NCc1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C21H20ClN3O2/c22-16-7-5-15(6-8-16)13-24-20-17-3-1-2-4-19(17)23-14-18(20)21(26)25-9-11-27-12-10-25/h1-8,14H,9-13H2,(H,23,24)
InChIKeyUEJMBZOJIVTSIE-UHFFFAOYSA-N
XLogP3.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333971
[6-chloro-4-[(3,4-dimethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333943
[6-chloro-4-[(3-ethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333938
[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
[4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001478
[4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001473
bis[4-(benzylamino)quinolin-3-yl]methanone
CID 154508571
[4-(2-chloro-4-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 27371221
[4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53052655
methyl 4-[[3-(morpholine-4-carbonyl)quinolin-4-yl]amino]benzoate
CID 53001664
[2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 8006719

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone (CID 53001489) is [4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone is O=C(c1cnc2ccccc2c1NCc1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of [4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is UEJMBZOJIVTSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c22-16-7-5-15(6-8-16)13-24-20-17-3-1-2-4-19(17)23-14-18(20)21(26)25-9-11-27-12-10-25/h1-8,14H,9-13H2,(H,23,24).
What are the key properties of [4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone?
[4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 381.86 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53001489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).