2-bromo-N-(8-propoxyquinolin-5-yl)benzamide

C19H17BrN2O2 — CID 26823266

IUPAC2-bromo-N-(8-propoxyquinolin-5-yl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccccc2Br)c2cccnc12
InChIInChI=1S/C19H17BrN2O2/c1-2-12-24-17-10-9-16(14-7-5-11-21-18(14)17)22-19(23)13-6-3-4-8-15(13)20/h3-11H,2,12H2,1H3,(H,22,23)
InChIKeyOEPWNFADLKQQDZ-UHFFFAOYSA-N
MW385.26 g/mol
LogP5.04
Rot. Bonds5

About 2-bromo-N-(8-propoxyquinolin-5-yl)benzamide

2-bromo-N-(8-propoxyquinolin-5-yl)benzamide (PubChem CID 26823266) has the molecular formula C19H17BrN2O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is 2-bromo-N-(8-propoxyquinolin-5-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(8-propoxyquinolin-5-yl)benzamide
PubChem CID26823266
Molecular FormulaC19H17BrN2O2
Molecular Weight385.26 g/mol
Exact Mass384.05
IUPAC Name2-bromo-N-(8-propoxyquinolin-5-yl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccccc2Br)c2cccnc12
InChIInChI=1S/C19H17BrN2O2/c1-2-12-24-17-10-9-16(14-7-5-11-21-18(14)17)22-19(23)13-6-3-4-8-15(13)20/h3-11H,2,12H2,1H3,(H,22,23)
InChIKeyOEPWNFADLKQQDZ-UHFFFAOYSA-N
XLogP5.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.26
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butoxy-N-(8-methoxyquinolin-5-yl)benzamide
CID 26823129
2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100773580
3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide
CID 26823282
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100775972
2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 133205908
(2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide
CID 100774129
N-ethyl-8-propoxyquinolin-5-amine
CID 82264799
(2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 100777802
N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide
CID 100773589
N-(8-methoxyquinolin-5-yl)-3-propoxybenzamide
CID 26823105
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide
CID 133205790
3,4,6-trimethyl-N-(8-propoxyquinolin-5-yl)-1-benzofuran-2-carboxamide
CID 39867526

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(8-propoxyquinolin-5-yl)benzamide?
The IUPAC name of 2-bromo-N-(8-propoxyquinolin-5-yl)benzamide (CID 26823266) is 2-bromo-N-(8-propoxyquinolin-5-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(8-propoxyquinolin-5-yl)benzamide?
The canonical SMILES for 2-bromo-N-(8-propoxyquinolin-5-yl)benzamide is CCCOc1ccc(NC(=O)c2ccccc2Br)c2cccnc12.
What is the InChIKey of 2-bromo-N-(8-propoxyquinolin-5-yl)benzamide?
The InChIKey is OEPWNFADLKQQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2/c1-2-12-24-17-10-9-16(14-7-5-11-21-18(14)17)22-19(23)13-6-3-4-8-15(13)20/h3-11H,2,12H2,1H3,(H,22,23).
What are the key properties of 2-bromo-N-(8-propoxyquinolin-5-yl)benzamide?
2-bromo-N-(8-propoxyquinolin-5-yl)benzamide has a molecular weight of 385.26 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(8-propoxyquinolin-5-yl)benzamide is sourced from PubChem (CID 26823266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).