[4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone

C22H23N3O2 — CID 53001478

IUPAC[4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(C)c1Nc1c(C(=O)N2CCOCC2)cnc2ccccc12
InChIInChI=1S/C22H23N3O2/c1-15-6-5-7-16(2)20(15)24-21-17-8-3-4-9-19(17)23-14-18(21)22(26)25-10-12-27-13-11-25/h3-9,14H,10-13H2,1-2H3,(H,23,24)
InChIKeyDNTJGTXVTAHHOZ-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.07
Rot. Bonds3

About [4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone

[4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone (PubChem CID 53001478) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is [4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
PubChem CID53001478
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name[4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(C)c1Nc1c(C(=O)N2CCOCC2)cnc2ccccc12
InChIInChI=1S/C22H23N3O2/c1-15-6-5-7-16(2)20(15)24-21-17-8-3-4-9-19(17)23-14-18(21)22(26)25-10-12-27-13-11-25/h3-9,14H,10-13H2,1-2H3,(H,23,24)
InChIKeyDNTJGTXVTAHHOZ-UHFFFAOYSA-N
XLogP4.07
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,6-dimethylanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53001611
[4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001473
[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-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001489
[4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53052655
[1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone
CID 106770053
[4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 53001536
3-[[5-methyl-4-(morpholine-4-carbonyl)isoquinolin-1-yl]amino]benzoic acid
CID 71186139
[4-(4-bromoanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53001674
(1-hydroxy-4-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 20719419
morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone
CID 46360302

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone (CID 53001478) is [4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone is Cc1cccc(C)c1Nc1c(C(=O)N2CCOCC2)cnc2ccccc12.
What is the InChIKey of [4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is DNTJGTXVTAHHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-6-5-7-16(2)20(15)24-21-17-8-3-4-9-19(17)23-14-18(21)22(26)25-10-12-27-13-11-25/h3-9,14H,10-13H2,1-2H3,(H,23,24).
What are the key properties of [4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone?
[4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 361.45 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53001478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).