2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide

C19H17BrN2O2 — CID 55548698

IUPAC2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc(Br)cc2)c2cccnc12
InChIInChI=1S/C19H17BrN2O2/c1-12-5-10-17(16-4-3-11-21-18(12)16)22-19(23)13(2)24-15-8-6-14(20)7-9-15/h3-11,13H,1-2H3,(H,22,23)
InChIKeyVHOKIPCENGKSAS-UHFFFAOYSA-N
MW385.26 g/mol
LogP4.71
Rot. Bonds4

About 2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide

2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide (PubChem CID 55548698) has the molecular formula C19H17BrN2O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide
PubChem CID55548698
Molecular FormulaC19H17BrN2O2
Molecular Weight385.26 g/mol
Exact Mass384.05
IUPAC Name2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc(Br)cc2)c2cccnc12
InChIInChI=1S/C19H17BrN2O2/c1-12-5-10-17(16-4-3-11-21-18(12)16)22-19(23)13(2)24-15-8-6-14(20)7-9-15/h3-11,13H,1-2H3,(H,22,23)
InChIKeyVHOKIPCENGKSAS-UHFFFAOYSA-N
XLogP4.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide
CID 26823081
(2R)-2-(2,3-dimethylphenoxy)-N-(8-methylquinolin-5-yl)propanamide
CID 38950691
(2S)-2-(3,4-dimethylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide
CID 26823201
2-(5-methyl-2-propan-2-ylphenoxy)-N-(8-methylquinolin-5-yl)propanamide
CID 51065828
(2R)-N-(8-ethoxyquinolin-5-yl)-2-(4-ethylphenoxy)propanamide
CID 26823233
(2R)-N-(8-ethoxyquinolin-5-yl)-2-(4-fluorophenoxy)propanamide
CID 35671687
(2S)-2-(4-chloro-3-methylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide
CID 26823186
(2S)-2-(4-bromophenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 7376118
(2S)-N-(8-butoxyquinolin-5-yl)-2-(3,5-dimethylphenoxy)propanamide
CID 26823412
2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide
CID 47033502
2-phenoxy-N-quinolin-5-ylpropanamide
CID 18076800
(2R)-2-(4-bromophenoxy)-N-(2-chloro-4-methylphenyl)propanamide
CID 7760576

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide (CID 55548698) is 2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide is Cc1ccc(NC(=O)C(C)Oc2ccc(Br)cc2)c2cccnc12.
What is the InChIKey of 2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide?
The InChIKey is VHOKIPCENGKSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2/c1-12-5-10-17(16-4-3-11-21-18(12)16)22-19(23)13(2)24-15-8-6-14(20)7-9-15/h3-11,13H,1-2H3,(H,22,23).
What are the key properties of 2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide?
2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide has a molecular weight of 385.26 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide is sourced from PubChem (CID 55548698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).