3-[(5-morpholin-4-ylquinolin-8-yl)amino]sulfanylbenzaldehyde

C20H19N3O2S — CID 164876915

IUPAC3-[(5-morpholin-4-ylquinolin-8-yl)amino]sulfanylbenzaldehyde
SMILESO=Cc1cccc(SNc2ccc(N3CCOCC3)c3cccnc23)c1
InChIInChI=1S/C20H19N3O2S/c24-14-15-3-1-4-16(13-15)26-22-18-6-7-19(23-9-11-25-12-10-23)17-5-2-8-21-20(17)18/h1-8,13-14,22H,9-12H2
InChIKeyPCKWHKOLKAGEQI-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.00
Rot. Bonds5

About 3-[(5-morpholin-4-ylquinolin-8-yl)amino]sulfanylbenzaldehyde

3-[(5-morpholin-4-ylquinolin-8-yl)amino]sulfanylbenzaldehyde (PubChem CID 164876915) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-[(5-morpholin-4-ylquinolin-8-yl)amino]sulfanylbenzaldehyde.

Molecular Properties

Compound Name3-[(5-morpholin-4-ylquinolin-8-yl)amino]sulfanylbenzaldehyde
PubChem CID164876915
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name3-[(5-morpholin-4-ylquinolin-8-yl)amino]sulfanylbenzaldehyde
SMILESO=Cc1cccc(SNc2ccc(N3CCOCC3)c3cccnc23)c1
InChIInChI=1S/C20H19N3O2S/c24-14-15-3-1-4-16(13-15)26-22-18-6-7-19(23-9-11-25-12-10-23)17-5-2-8-21-20(17)18/h1-8,13-14,22H,9-12H2
InChIKeyPCKWHKOLKAGEQI-UHFFFAOYSA-N
XLogP4.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(5-bromoquinolin-8-yl)amino]sulfanylbenzaldehyde
CID 170977211
N-(3-methylpyrazin-2-yl)sulfanyl-5-morpholin-4-ylquinolin-8-amine
CID 164876844
3-(cyclopropylmethyl)-N-(5-morpholin-4-ylquinolin-8-yl)imidazole-4-sulfonamide
CID 164876819
1-(2-morpholin-4-ylphenyl)-3-quinolin-8-ylurea
CID 108992558
4-[8-(2,3-dichlorophenyl)quinolin-4-yl]morpholine
CID 177306151
N-[(3-methyl-2-pyridinyl)sulfanyl]-7-morpholin-4-ylquinolin-8-amine
CID 164876668
5-bromo-N-(4-methylphenyl)sulfanylquinolin-8-amine
CID 145018929
2-(2-morpholin-4-ylanilino)-N-quinolin-8-ylacetamide
CID 109010597
N-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)quinolin-8-amine
CID 112912374
2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone
CID 116783960
8-(4,4-difluoropiperidin-1-yl)quinoline-6-carbaldehyde
CID 170328398
1-(8-aminoquinolin-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317610

Frequently Asked Questions

What is the IUPAC name of 3-[(5-morpholin-4-ylquinolin-8-yl)amino]sulfanylbenzaldehyde?
The IUPAC name of 3-[(5-morpholin-4-ylquinolin-8-yl)amino]sulfanylbenzaldehyde (CID 164876915) is 3-[(5-morpholin-4-ylquinolin-8-yl)amino]sulfanylbenzaldehyde.
What is the SMILES notation for 3-[(5-morpholin-4-ylquinolin-8-yl)amino]sulfanylbenzaldehyde?
The canonical SMILES for 3-[(5-morpholin-4-ylquinolin-8-yl)amino]sulfanylbenzaldehyde is O=Cc1cccc(SNc2ccc(N3CCOCC3)c3cccnc23)c1.
What is the InChIKey of 3-[(5-morpholin-4-ylquinolin-8-yl)amino]sulfanylbenzaldehyde?
The InChIKey is PCKWHKOLKAGEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-14-15-3-1-4-16(13-15)26-22-18-6-7-19(23-9-11-25-12-10-23)17-5-2-8-21-20(17)18/h1-8,13-14,22H,9-12H2.
What are the key properties of 3-[(5-morpholin-4-ylquinolin-8-yl)amino]sulfanylbenzaldehyde?
3-[(5-morpholin-4-ylquinolin-8-yl)amino]sulfanylbenzaldehyde has a molecular weight of 365.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-morpholin-4-ylquinolin-8-yl)amino]sulfanylbenzaldehyde is sourced from PubChem (CID 164876915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).