3-(2-bromophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide

C19H19BrN2O2 — CID 71806539

IUPAC3-(2-bromophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide
SMILESCN1C(=O)CCc2cc(NC(=O)CCc3ccccc3Br)ccc21
InChIInChI=1S/C19H19BrN2O2/c1-22-17-9-8-15(12-14(17)7-11-19(22)24)21-18(23)10-6-13-4-2-3-5-16(13)20/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,21,23)
InChIKeyWRXBNDUHMZBHOA-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.93
Rot. Bonds4

About 3-(2-bromophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide

3-(2-bromophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide (PubChem CID 71806539) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide
PubChem CID71806539
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name3-(2-bromophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide
SMILESCN1C(=O)CCc2cc(NC(=O)CCc3ccccc3Br)ccc21
InChIInChI=1S/C19H19BrN2O2/c1-22-17-9-8-15(12-14(17)7-11-19(22)24)21-18(23)10-6-13-4-2-3-5-16(13)20/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,21,23)
InChIKeyWRXBNDUHMZBHOA-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide (CID 71806539) is 3-(2-bromophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide is CN1C(=O)CCc2cc(NC(=O)CCc3ccccc3Br)ccc21.
What is the InChIKey of 3-(2-bromophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide?
The InChIKey is WRXBNDUHMZBHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-22-17-9-8-15(12-14(17)7-11-19(22)24)21-18(23)10-6-13-4-2-3-5-16(13)20/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,21,23).
What are the key properties of 3-(2-bromophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide?
3-(2-bromophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide has a molecular weight of 387.28 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide is sourced from PubChem (CID 71806539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).