(2S)-2-(4-chloro-3-methylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide

C21H21ClN2O3 — CID 26823186

IUPAC(2S)-2-(4-chloro-3-methylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide
SMILESCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c2cccnc12
InChIInChI=1S/C21H21ClN2O3/c1-4-26-19-10-9-18(16-6-5-11-23-20(16)19)24-21(25)14(3)27-15-7-8-17(22)13(2)12-15/h5-12,14H,4H2,1-3H3,(H,24,25)/t14-/m0/s1
InChIKeyYFLCZLMCLQTAOS-AWEZNQCLSA-N
MW384.86 g/mol
LogP5.00
Rot. Bonds6

About (2S)-2-(4-chloro-3-methylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide

(2S)-2-(4-chloro-3-methylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide (PubChem CID 26823186) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is (2S)-2-(4-chloro-3-methylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-3-methylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide
PubChem CID26823186
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name(2S)-2-(4-chloro-3-methylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide
SMILESCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c2cccnc12
InChIInChI=1S/C21H21ClN2O3/c1-4-26-19-10-9-18(16-6-5-11-23-20(16)19)24-21(25)14(3)27-15-7-8-17(22)13(2)12-15/h5-12,14H,4H2,1-3H3,(H,24,25)/t14-/m0/s1
InChIKeyYFLCZLMCLQTAOS-AWEZNQCLSA-N
XLogP5.00
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.86
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3,4-dimethylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide
CID 26823201
(2R)-N-(8-ethoxyquinolin-5-yl)-2-(4-ethylphenoxy)propanamide
CID 26823233
(2R)-N-(8-ethoxyquinolin-5-yl)-2-(4-fluorophenoxy)propanamide
CID 35671687
(2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide
CID 26823081
(2S)-N-(8-butoxyquinolin-5-yl)-2-(3,5-dimethylphenoxy)propanamide
CID 26823412
(2S)-2-(4-chloro-3-methylphenoxy)-N-(2-chloro-3-pyridinyl)propanamide
CID 841539
2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide
CID 55548698
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide
CID 7542731
ethyl 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-4-methylbenzoate
CID 132656492
2-(5-methyl-2-propan-2-ylphenoxy)-N-(8-methylquinolin-5-yl)propanamide
CID 51065828
(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 95077371
(2S)-N-(8-methoxyquinolin-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 35673294

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-3-methylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide?
The IUPAC name of (2S)-2-(4-chloro-3-methylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide (CID 26823186) is (2S)-2-(4-chloro-3-methylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-chloro-3-methylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide?
The canonical SMILES for (2S)-2-(4-chloro-3-methylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide is CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c2cccnc12.
What is the InChIKey of (2S)-2-(4-chloro-3-methylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide?
The InChIKey is YFLCZLMCLQTAOS-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-4-26-19-10-9-18(16-6-5-11-23-20(16)19)24-21(25)14(3)27-15-7-8-17(22)13(2)12-15/h5-12,14H,4H2,1-3H3,(H,24,25)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-3-methylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide?
(2S)-2-(4-chloro-3-methylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide has a molecular weight of 384.86 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-3-methylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide is sourced from PubChem (CID 26823186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).