2-(3-chlorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide

C22H22ClN3O2S — CID 4576754

IUPAC2-(3-chlorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(Sc2cccc(Cl)c2)nc2ccccc12
InChIInChI=1S/C22H22ClN3O2S/c23-16-4-3-5-17(14-16)29-21-15-19(18-6-1-2-7-20(18)25-21)22(27)24-8-9-26-10-12-28-13-11-26/h1-7,14-15H,8-13H2,(H,24,27)
InChIKeyTYDNZMYUKHTSOC-UHFFFAOYSA-N
MW427.96 g/mol
LogP4.10
Rot. Bonds6

About 2-(3-chlorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide

2-(3-chlorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide (PubChem CID 4576754) has the molecular formula C22H22ClN3O2S and a molecular weight of 427.96 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
PubChem CID4576754
Molecular FormulaC22H22ClN3O2S
Molecular Weight427.96 g/mol
Exact Mass427.11
IUPAC Name2-(3-chlorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(Sc2cccc(Cl)c2)nc2ccccc12
InChIInChI=1S/C22H22ClN3O2S/c23-16-4-3-5-17(14-16)29-21-15-19(18-6-1-2-7-20(18)25-21)22(27)24-8-9-26-10-12-28-13-11-26/h1-7,14-15H,8-13H2,(H,24,27)
InChIKeyTYDNZMYUKHTSOC-UHFFFAOYSA-N
XLogP4.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.96
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 4053168
2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 117094318
N-butyl-2-(3-chlorophenyl)sulfanylquinoline-4-carboxamide
CID 4053177
2-(3-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)quinoline-4-carboxamide
CID 4574005
2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)quinoline-4-carboxamide
CID 4255716
2-(4-ethoxyphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 4069976
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4110000
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 1354107
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4184624
1,5-bis(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylimidazole-4-carboxamide
CID 50996418
N-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512877

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide (CID 4576754) is 2-(3-chlorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide is O=C(NCCN1CCOCC1)c1cc(Sc2cccc(Cl)c2)nc2ccccc12.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
The InChIKey is TYDNZMYUKHTSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2S/c23-16-4-3-5-17(14-16)29-21-15-19(18-6-1-2-7-20(18)25-21)22(27)24-8-9-26-10-12-28-13-11-26/h1-7,14-15H,8-13H2,(H,24,27).
What are the key properties of 2-(3-chlorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
2-(3-chlorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide has a molecular weight of 427.96 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 4576754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).