2-(4-chloro-3,5-dimethylphenoxy)-N-quinolin-8-ylpropanamide

C20H19ClN2O2 — CID 20895141

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-quinolin-8-ylpropanamide
SMILESCc1cc(OC(C)C(=O)Nc2cccc3cccnc23)cc(C)c1Cl
InChIInChI=1S/C20H19ClN2O2/c1-12-10-16(11-13(2)18(12)21)25-14(3)20(24)23-17-8-4-6-15-7-5-9-22-19(15)17/h4-11,14H,1-3H3,(H,23,24)
InChIKeyHALVGVUBZRAJPU-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.91
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylphenoxy)-N-quinolin-8-ylpropanamide

2-(4-chloro-3,5-dimethylphenoxy)-N-quinolin-8-ylpropanamide (PubChem CID 20895141) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-quinolin-8-ylpropanamide
PubChem CID20895141
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-quinolin-8-ylpropanamide
SMILESCc1cc(OC(C)C(=O)Nc2cccc3cccnc23)cc(C)c1Cl
InChIInChI=1S/C20H19ClN2O2/c1-12-10-16(11-13(2)18(12)21)25-14(3)20(24)23-17-8-4-6-15-7-5-9-22-19(15)17/h4-11,14H,1-3H3,(H,23,24)
InChIKeyHALVGVUBZRAJPU-UHFFFAOYSA-N
XLogP4.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-methylphenoxy)-N-quinolin-8-ylpropanamide
CID 8781732
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide
CID 19191588
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 21173368
(2S)-2-(4-chloro-3-methylphenoxy)-N-(2-chloro-3-pyridinyl)propanamide
CID 841539
methyl 3-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]-2-methylbenzoate
CID 21367909
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 21367472
ethyl 2-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]benzoate
CID 2969501
N-(4-bromo-2-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide
CID 19228929
1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea
CID 108991844
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(5-propoxy-[1,3]thiazolo[4,5-f]quinolin-2-yl)propanamide
CID 35577154
(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide
CID 22690765
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide
CID 19191633

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-quinolin-8-ylpropanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-quinolin-8-ylpropanamide (CID 20895141) is 2-(4-chloro-3,5-dimethylphenoxy)-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-quinolin-8-ylpropanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-quinolin-8-ylpropanamide is Cc1cc(OC(C)C(=O)Nc2cccc3cccnc23)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-quinolin-8-ylpropanamide?
The InChIKey is HALVGVUBZRAJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-12-10-16(11-13(2)18(12)21)25-14(3)20(24)23-17-8-4-6-15-7-5-9-22-19(15)17/h4-11,14H,1-3H3,(H,23,24).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-quinolin-8-ylpropanamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-quinolin-8-ylpropanamide has a molecular weight of 354.84 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 20895141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).