[4-(2-chloro-4-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone

C21H20ClN3O2 — CID 27371221

IUPAC[4-(2-chloro-4-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(Nc2c(C(=O)N3CCOCC3)cnc3ccccc23)c(Cl)c1
InChIInChI=1S/C21H20ClN3O2/c1-14-6-7-19(17(22)12-14)24-20-15-4-2-3-5-18(15)23-13-16(20)21(26)25-8-10-27-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,23,24)
InChIKeyWSYGGDMXCUQWOR-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.41
Rot. Bonds3

About [4-(2-chloro-4-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone

[4-(2-chloro-4-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone (PubChem CID 27371221) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is [4-(2-chloro-4-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2-chloro-4-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
PubChem CID27371221
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name[4-(2-chloro-4-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(Nc2c(C(=O)N3CCOCC3)cnc3ccccc23)c(Cl)c1
InChIInChI=1S/C21H20ClN3O2/c1-14-6-7-19(17(22)12-14)24-20-15-4-2-3-5-18(15)23-13-16(20)21(26)25-8-10-27-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,23,24)
InChIKeyWSYGGDMXCUQWOR-UHFFFAOYSA-N
XLogP4.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 53001687
[4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001478
[4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53052655
[4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001473
methyl 4-[[3-(morpholine-4-carbonyl)quinolin-4-yl]amino]benzoate
CID 53001664
[4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001489
[4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 53001536
[4-(2,4-dichloroanilino)-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53032705
[6-chloro-4-[(3-methylphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333971
2-chloro-4-methyl-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 56920455
[4-(2,6-dimethylanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53001611
[1-(3,5-dichloroanilino)isoquinolin-4-yl]-morpholin-4-ylmethanone
CID 56960201

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-4-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2-chloro-4-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone (CID 27371221) is [4-(2-chloro-4-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2-chloro-4-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2-chloro-4-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone is Cc1ccc(Nc2c(C(=O)N3CCOCC3)cnc3ccccc23)c(Cl)c1.
What is the InChIKey of [4-(2-chloro-4-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is WSYGGDMXCUQWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-14-6-7-19(17(22)12-14)24-20-15-4-2-3-5-18(15)23-13-16(20)21(26)25-8-10-27-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,23,24).
What are the key properties of [4-(2-chloro-4-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone?
[4-(2-chloro-4-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 381.86 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloro-4-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 27371221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).