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

C22H23N3O2 — CID 53001473

IUPAC[4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
SMILESCCc1ccccc1Nc1c(C(=O)N2CCOCC2)cnc2ccccc12
InChIInChI=1S/C22H23N3O2/c1-2-16-7-3-5-9-19(16)24-21-17-8-4-6-10-20(17)23-15-18(21)22(26)25-11-13-27-14-12-25/h3-10,15H,2,11-14H2,1H3,(H,23,24)
InChIKeyQNVJZUIXKUPJGV-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.01
Rot. Bonds4

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

[4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone (PubChem CID 53001473) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is [4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
PubChem CID53001473
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name[4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
SMILESCCc1ccccc1Nc1c(C(=O)N2CCOCC2)cnc2ccccc12
InChIInChI=1S/C22H23N3O2/c1-2-16-7-3-5-9-19(16)24-21-17-8-4-6-10-20(17)23-15-18(21)22(26)25-11-13-27-14-12-25/h3-10,15H,2,11-14H2,1H3,(H,23,24)
InChIKeyQNVJZUIXKUPJGV-UHFFFAOYSA-N
XLogP4.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 53001536
[4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001478
[4-(2-chloro-4-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 27371221
methyl 4-[[3-(morpholine-4-carbonyl)quinolin-4-yl]amino]benzoate
CID 53001664
[4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53052655
[4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001489
[4-(2,6-dimethylanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53001611
[1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone
CID 106770053
[8-(hydroxymethyl)-4-(2-methylanilino)quinolin-3-yl]-piperidin-1-ylmethanone
CID 25072332
[4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 53001687
[4-(4-bromoanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53001674
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(2-ethylanilino)pyrimidin-5-yl]methanone
CID 109261589

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone (CID 53001473) is [4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone is CCc1ccccc1Nc1c(C(=O)N2CCOCC2)cnc2ccccc12.
What is the InChIKey of [4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is QNVJZUIXKUPJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-2-16-7-3-5-9-19(16)24-21-17-8-4-6-10-20(17)23-15-18(21)22(26)25-11-13-27-14-12-25/h3-10,15H,2,11-14H2,1H3,(H,23,24).
What are the key properties of [4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone?
[4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 361.44 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53001473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).